USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot -6:sc= 0.827 USER MOD Set 1.2: A 118 THR OG1 : rot 11:sc= 0.283 USER MOD Set 2.1: A 99 GLN : amide:sc= -1.41 K(o=-0.75,f=-4.3!) USER MOD Set 2.2: A 101 SER OG : rot 13:sc= 0.659 USER MOD Set 3.1: A 98 HIS : no HD1:sc= -2.92 K(o=-3.2,f=-4.8!) USER MOD Set 3.2: A 100 THR OG1 : rot 180:sc= -0.285 USER MOD Set 4.1: A 72 GLN : amide:sc= 0.429 K(o=0.96,f=-0.74) USER MOD Set 4.2: A 78 THR OG1 : rot -128:sc= 0.529 USER MOD Set 5.1: A 51 GLN : amide:sc= -0.594 K(o=-2.1,f=-6.6) USER MOD Set 5.2: A 59 MET CE :methyl 135:sc= -0.446 (180deg=-0.898) USER MOD Set 5.3: A 61 ASN : amide:sc= -0.722 K(o=-2.1,f=-3.7!) USER MOD Set 5.4: A 74 MET CE :methyl 140:sc= -0.351 (180deg=-2.04) USER MOD Set 6.1: A 52 HIS : no HE2:sc= -0.395 K(o=-0.4,f=-3.9!) USER MOD Set 6.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 53 TYR OH : rot 96:sc= 0.34 USER MOD Set 7.2: A 57 HIS : no HE2:sc= -8.19! C(o=-7.9!,f=-8.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 152:sc= -0.0659 (180deg=-1.6!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.263 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-0.57) USER MOD Single : A 14 TYR OH : rot 147:sc= 0.341 USER MOD Single : A 18 MET CE :methyl -157:sc= -0.559 (180deg=-1.24) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -115:sc= 0.828 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.247 (180deg=0.221) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.638 F(o=-0.075,f=0.64) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.3!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 48 THR OG1 : rot -5:sc= 1 USER MOD Single : A 50 SER OG : rot 180:sc= -0.189 USER MOD Single : A 54 SER OG : rot -55:sc= 0.347 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -15:sc= 0.117 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -19:sc= 0.839 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 23:sc= 0.78 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.3) USER MOD Single : A 96 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.7!) USER MOD Single : A 97 TYR OH : rot 81:sc= 0.816 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -140:sc= 1.38 USER MOD Single : A 119 TYR OH : rot 95:sc= 1.26 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.368 9.767 12.203 1.00 0.00 N ATOM 2 CA ALA A 1 1.893 8.744 13.123 1.00 0.00 C ATOM 3 C ALA A 1 1.888 7.390 12.449 1.00 0.00 C ATOM 4 O ALA A 1 2.540 6.491 12.954 1.00 0.00 O ATOM 5 CB ALA A 1 0.492 9.094 13.687 1.00 0.00 C ATOM 0 H1 ALA A 1 2.366 10.691 12.680 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.335 9.537 11.898 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.743 9.805 11.373 1.00 0.00 H new ATOM 0 HA ALA A 1 2.580 8.704 13.968 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.168 8.309 14.370 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.542 10.043 14.222 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.220 9.177 12.866 1.00 0.00 H new ATOM 11 N PHE A 2 1.159 7.225 11.320 1.00 0.00 N ATOM 12 CA PHE A 2 1.109 5.931 10.635 1.00 0.00 C ATOM 13 C PHE A 2 0.650 4.886 11.623 1.00 0.00 C ATOM 14 O PHE A 2 1.376 3.940 11.883 1.00 0.00 O ATOM 15 CB PHE A 2 2.470 5.555 9.988 1.00 0.00 C ATOM 16 CG PHE A 2 2.706 6.347 8.700 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.009 5.991 7.540 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.610 7.414 8.668 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.225 6.693 6.354 1.00 0.00 C ATOM 20 CE2 PHE A 2 3.859 8.086 7.469 1.00 0.00 C ATOM 21 CZ PHE A 2 3.181 7.708 6.307 1.00 0.00 C ATOM 0 H PHE A 2 0.610 7.962 10.878 1.00 0.00 H new ATOM 0 HA PHE A 2 0.400 5.991 9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.278 5.752 10.693 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.490 4.487 9.771 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.304 5.173 7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.116 7.719 9.572 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.652 6.451 5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.573 8.895 7.440 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.397 8.202 5.371 1.00 0.00 H new ATOM 31 N THR A 3 -0.563 5.049 12.194 1.00 0.00 N ATOM 32 CA THR A 3 -1.038 4.091 13.190 1.00 0.00 C ATOM 33 C THR A 3 -2.548 4.187 13.265 1.00 0.00 C ATOM 34 O THR A 3 -3.028 5.223 13.695 1.00 0.00 O ATOM 35 CB THR A 3 -0.389 4.437 14.558 1.00 0.00 C ATOM 36 OG1 THR A 3 1.032 4.234 14.458 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.969 3.560 15.701 1.00 0.00 C ATOM 0 H THR A 3 -1.206 5.812 11.985 1.00 0.00 H new ATOM 0 HA THR A 3 -0.763 3.071 12.921 1.00 0.00 H new ATOM 0 HB THR A 3 -0.609 5.477 14.798 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.455 4.451 15.315 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.492 3.829 16.644 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.044 3.726 15.777 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.779 2.509 15.485 1.00 0.00 H new ATOM 45 N GLY A 4 -3.310 3.144 12.859 1.00 0.00 N ATOM 46 CA GLY A 4 -4.768 3.217 12.949 1.00 0.00 C ATOM 47 C GLY A 4 -5.426 2.306 11.944 1.00 0.00 C ATOM 48 O GLY A 4 -4.709 1.695 11.169 1.00 0.00 O ATOM 0 H GLY A 4 -2.944 2.271 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.086 2.943 13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.094 4.243 12.780 1.00 0.00 H new ATOM 52 N LYS A 5 -6.779 2.218 11.937 1.00 0.00 N ATOM 53 CA LYS A 5 -7.461 1.456 10.893 1.00 0.00 C ATOM 54 C LYS A 5 -7.725 2.384 9.739 1.00 0.00 C ATOM 55 O LYS A 5 -7.950 3.560 9.975 1.00 0.00 O ATOM 56 CB LYS A 5 -8.781 0.787 11.360 1.00 0.00 C ATOM 57 CG LYS A 5 -9.436 -0.064 10.231 1.00 0.00 C ATOM 58 CD LYS A 5 -10.706 -0.841 10.676 1.00 0.00 C ATOM 59 CE LYS A 5 -10.413 -2.046 11.611 1.00 0.00 C ATOM 60 NZ LYS A 5 -11.640 -2.834 11.869 1.00 0.00 N ATOM 0 H LYS A 5 -7.393 2.655 12.625 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.809 0.632 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.580 0.152 12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.481 1.556 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.697 0.593 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.701 -0.776 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.380 -0.153 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.229 -1.200 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.655 -2.685 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.003 -1.686 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.414 -3.632 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.353 -2.228 12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.016 -3.196 10.969 1.00 0.00 H new ATOM 74 N PHE A 6 -7.707 1.858 8.494 1.00 0.00 N ATOM 75 CA PHE A 6 -8.062 2.661 7.335 1.00 0.00 C ATOM 76 C PHE A 6 -8.770 1.788 6.326 1.00 0.00 C ATOM 77 O PHE A 6 -8.792 0.589 6.553 1.00 0.00 O ATOM 78 CB PHE A 6 -6.781 3.237 6.680 1.00 0.00 C ATOM 79 CG PHE A 6 -5.864 3.989 7.649 1.00 0.00 C ATOM 80 CD1 PHE A 6 -4.931 3.287 8.418 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.930 5.382 7.748 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.063 3.973 9.271 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.049 6.072 8.585 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.141 5.364 9.378 1.00 0.00 C ATOM 0 H PHE A 6 -7.452 0.893 8.282 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.710 3.478 7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.220 2.420 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.070 3.911 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.881 2.210 8.352 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.665 5.927 7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.331 3.428 9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.070 7.151 8.619 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.502 5.891 10.071 1.00 0.00 H new ATOM 94 N GLU A 7 -9.329 2.326 5.216 1.00 0.00 N ATOM 95 CA GLU A 7 -9.863 1.437 4.181 1.00 0.00 C ATOM 96 C GLU A 7 -9.914 2.138 2.843 1.00 0.00 C ATOM 97 O GLU A 7 -10.232 3.316 2.824 1.00 0.00 O ATOM 98 CB GLU A 7 -11.248 0.844 4.550 1.00 0.00 C ATOM 99 CG GLU A 7 -12.373 1.906 4.475 1.00 0.00 C ATOM 100 CD GLU A 7 -13.631 1.382 5.119 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.348 0.581 4.459 1.00 0.00 O ATOM 102 OE2 GLU A 7 -13.910 1.763 6.289 1.00 0.00 O ATOM 0 H GLU A 7 -9.416 3.324 5.026 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.175 0.595 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.481 0.021 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.208 0.429 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.054 2.820 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.570 2.165 3.435 1.00 0.00 H new ATOM 109 N MET A 8 -9.601 1.432 1.731 1.00 0.00 N ATOM 110 CA MET A 8 -9.504 2.093 0.431 1.00 0.00 C ATOM 111 C MET A 8 -10.888 2.526 0.007 1.00 0.00 C ATOM 112 O MET A 8 -11.650 1.654 -0.374 1.00 0.00 O ATOM 113 CB MET A 8 -8.829 1.144 -0.602 1.00 0.00 C ATOM 114 CG MET A 8 -8.435 1.876 -1.920 1.00 0.00 C ATOM 115 SD MET A 8 -9.004 0.942 -3.377 1.00 0.00 S ATOM 116 CE MET A 8 -10.786 1.280 -3.275 1.00 0.00 C ATOM 0 H MET A 8 -9.417 0.429 1.717 1.00 0.00 H new ATOM 0 HA MET A 8 -8.875 2.981 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.938 0.702 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.509 0.324 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.871 2.875 -1.930 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.353 2.000 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.222 1.240 -4.273 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.262 0.532 -2.641 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.945 2.271 -2.849 1.00 0.00 H new ATOM 126 N GLU A 9 -11.259 3.831 0.062 1.00 0.00 N ATOM 127 CA GLU A 9 -12.578 4.227 -0.438 1.00 0.00 C ATOM 128 C GLU A 9 -12.547 4.389 -1.943 1.00 0.00 C ATOM 129 O GLU A 9 -13.531 4.042 -2.577 1.00 0.00 O ATOM 130 CB GLU A 9 -13.190 5.506 0.208 1.00 0.00 C ATOM 131 CG GLU A 9 -12.433 6.831 -0.084 1.00 0.00 C ATOM 132 CD GLU A 9 -13.251 8.067 0.196 1.00 0.00 C ATOM 133 OE1 GLU A 9 -14.367 7.956 0.773 1.00 0.00 O ATOM 134 OE2 GLU A 9 -12.777 9.177 -0.173 1.00 0.00 O ATOM 0 H GLU A 9 -10.685 4.589 0.432 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.235 3.409 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.218 5.611 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.232 5.362 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.525 6.862 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.122 6.840 -1.129 1.00 0.00 H new ATOM 141 N SER A 10 -11.450 4.925 -2.533 1.00 0.00 N ATOM 142 CA SER A 10 -11.463 5.260 -3.958 1.00 0.00 C ATOM 143 C SER A 10 -10.066 5.258 -4.537 1.00 0.00 C ATOM 144 O SER A 10 -9.122 5.104 -3.777 1.00 0.00 O ATOM 145 CB SER A 10 -12.101 6.667 -4.110 1.00 0.00 C ATOM 146 OG SER A 10 -13.402 6.721 -3.503 1.00 0.00 O ATOM 0 H SER A 10 -10.574 5.126 -2.051 1.00 0.00 H new ATOM 0 HA SER A 10 -12.040 4.512 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.453 7.414 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.180 6.920 -5.167 1.00 0.00 H new ATOM 0 HG SER A 10 -13.778 7.619 -3.614 1.00 0.00 H new ATOM 152 N GLU A 11 -9.931 5.418 -5.877 1.00 0.00 N ATOM 153 CA GLU A 11 -8.622 5.340 -6.525 1.00 0.00 C ATOM 154 C GLU A 11 -8.505 6.356 -7.641 1.00 0.00 C ATOM 155 O GLU A 11 -9.503 6.987 -7.952 1.00 0.00 O ATOM 156 CB GLU A 11 -8.476 3.915 -7.119 1.00 0.00 C ATOM 157 CG GLU A 11 -8.570 2.811 -6.033 1.00 0.00 C ATOM 158 CD GLU A 11 -8.281 1.456 -6.626 1.00 0.00 C ATOM 159 OE1 GLU A 11 -8.820 1.177 -7.727 1.00 0.00 O ATOM 160 OE2 GLU A 11 -7.521 0.660 -6.013 1.00 0.00 O ATOM 0 H GLU A 11 -10.708 5.599 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.841 5.550 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.253 3.754 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.518 3.835 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.862 3.021 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.565 2.814 -5.589 1.00 0.00 H new ATOM 167 N LYS A 12 -7.298 6.514 -8.245 1.00 0.00 N ATOM 168 CA LYS A 12 -7.099 7.460 -9.345 1.00 0.00 C ATOM 169 C LYS A 12 -6.669 6.715 -10.597 1.00 0.00 C ATOM 170 O LYS A 12 -7.502 6.581 -11.481 1.00 0.00 O ATOM 171 CB LYS A 12 -6.093 8.554 -8.891 1.00 0.00 C ATOM 172 CG LYS A 12 -5.700 9.520 -10.042 1.00 0.00 C ATOM 173 CD LYS A 12 -4.639 10.553 -9.572 1.00 0.00 C ATOM 174 CE LYS A 12 -4.129 11.465 -10.724 1.00 0.00 C ATOM 175 NZ LYS A 12 -5.190 12.301 -11.332 1.00 0.00 N ATOM 0 H LYS A 12 -6.460 5.996 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.029 7.966 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.530 9.128 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.195 8.076 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.307 8.948 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.587 10.043 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.068 11.175 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.793 10.023 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.341 12.114 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.681 10.842 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.781 12.883 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.932 11.688 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.603 12.920 -10.606 1.00 0.00 H new ATOM 189 N ASN A 13 -5.404 6.231 -10.711 1.00 0.00 N ATOM 190 CA ASN A 13 -4.944 5.546 -11.929 1.00 0.00 C ATOM 191 C ASN A 13 -4.753 4.059 -11.712 1.00 0.00 C ATOM 192 O ASN A 13 -4.034 3.432 -12.475 1.00 0.00 O ATOM 193 CB ASN A 13 -3.605 6.179 -12.406 1.00 0.00 C ATOM 194 CG ASN A 13 -3.418 6.166 -13.907 1.00 0.00 C ATOM 195 OD1 ASN A 13 -4.087 5.411 -14.594 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.501 6.998 -14.450 1.00 0.00 N ATOM 0 H ASN A 13 -4.698 6.306 -9.978 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.715 5.671 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.556 7.209 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.776 5.644 -11.942 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.354 7.006 -15.459 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.957 7.618 -13.850 1.00 0.00 H new ATOM 203 N TYR A 14 -5.390 3.483 -10.671 1.00 0.00 N ATOM 204 CA TYR A 14 -5.248 2.056 -10.389 1.00 0.00 C ATOM 205 C TYR A 14 -5.354 1.187 -11.621 1.00 0.00 C ATOM 206 O TYR A 14 -4.560 0.271 -11.763 1.00 0.00 O ATOM 207 CB TYR A 14 -6.386 1.681 -9.409 1.00 0.00 C ATOM 208 CG TYR A 14 -6.544 0.176 -9.220 1.00 0.00 C ATOM 209 CD1 TYR A 14 -5.822 -0.482 -8.222 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.438 -0.538 -10.022 1.00 0.00 C ATOM 211 CE1 TYR A 14 -6.078 -1.825 -7.950 1.00 0.00 C ATOM 212 CE2 TYR A 14 -7.682 -1.885 -9.753 1.00 0.00 C ATOM 213 CZ TYR A 14 -6.971 -2.546 -8.751 1.00 0.00 C ATOM 214 OH TYR A 14 -7.167 -3.909 -8.538 1.00 0.00 O ATOM 0 H TYR A 14 -5.999 3.985 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.255 1.881 -9.976 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.191 2.144 -8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.325 2.095 -9.777 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.066 0.049 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.937 -0.050 -10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.586 -2.310 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.426 -2.420 -10.324 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.095 -4.143 -8.750 1.00 0.00 H new ATOM 224 N ASP A 15 -6.337 1.440 -12.512 1.00 0.00 N ATOM 225 CA ASP A 15 -6.552 0.527 -13.635 1.00 0.00 C ATOM 226 C ASP A 15 -5.301 0.376 -14.463 1.00 0.00 C ATOM 227 O ASP A 15 -4.856 -0.737 -14.693 1.00 0.00 O ATOM 228 CB ASP A 15 -7.681 1.019 -14.579 1.00 0.00 C ATOM 229 CG ASP A 15 -8.061 -0.078 -15.540 1.00 0.00 C ATOM 230 OD1 ASP A 15 -7.400 -0.191 -16.608 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.021 -0.838 -15.233 1.00 0.00 O ATOM 0 H ASP A 15 -6.968 2.240 -12.473 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.835 -0.428 -13.192 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.551 1.319 -13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.348 1.898 -15.131 1.00 0.00 H new ATOM 236 N GLU A 16 -4.731 1.507 -14.932 1.00 0.00 N ATOM 237 CA GLU A 16 -3.556 1.415 -15.794 1.00 0.00 C ATOM 238 C GLU A 16 -2.383 0.928 -14.978 1.00 0.00 C ATOM 239 O GLU A 16 -1.734 -0.024 -15.376 1.00 0.00 O ATOM 240 CB GLU A 16 -3.164 2.755 -16.475 1.00 0.00 C ATOM 241 CG GLU A 16 -4.336 3.368 -17.285 1.00 0.00 C ATOM 242 CD GLU A 16 -3.831 4.521 -18.114 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.484 5.575 -17.514 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.773 4.384 -19.367 1.00 0.00 O ATOM 0 H GLU A 16 -5.056 2.453 -14.733 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.815 0.720 -16.592 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.840 3.465 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.315 2.588 -17.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.780 2.610 -17.930 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.119 3.709 -16.608 1.00 0.00 H new ATOM 251 N PHE A 17 -2.083 1.551 -13.819 1.00 0.00 N ATOM 252 CA PHE A 17 -0.981 1.051 -12.997 1.00 0.00 C ATOM 253 C PHE A 17 -1.010 -0.456 -12.881 1.00 0.00 C ATOM 254 O PHE A 17 0.040 -1.075 -12.936 1.00 0.00 O ATOM 255 CB PHE A 17 -1.088 1.639 -11.572 1.00 0.00 C ATOM 256 CG PHE A 17 0.112 1.230 -10.713 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.355 1.803 -10.993 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.023 0.333 -9.649 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.460 1.476 -10.209 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.075 0.055 -8.833 1.00 0.00 C ATOM 261 CZ PHE A 17 2.332 0.581 -9.147 1.00 0.00 C ATOM 0 H PHE A 17 -2.570 2.367 -13.449 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.052 1.354 -13.479 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.145 2.726 -11.628 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.009 1.295 -11.102 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.459 2.497 -11.814 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.974 -0.143 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.421 1.918 -10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.954 -0.567 -7.958 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.199 0.296 -8.570 1.00 0.00 H new ATOM 271 N MET A 18 -2.215 -1.053 -12.741 1.00 0.00 N ATOM 272 CA MET A 18 -2.313 -2.509 -12.676 1.00 0.00 C ATOM 273 C MET A 18 -1.921 -3.054 -14.024 1.00 0.00 C ATOM 274 O MET A 18 -1.116 -3.969 -14.069 1.00 0.00 O ATOM 275 CB MET A 18 -3.755 -3.005 -12.364 1.00 0.00 C ATOM 276 CG MET A 18 -3.993 -3.220 -10.850 1.00 0.00 C ATOM 277 SD MET A 18 -3.422 -1.816 -9.847 1.00 0.00 S ATOM 278 CE MET A 18 -3.004 -2.747 -8.339 1.00 0.00 C ATOM 0 H MET A 18 -3.104 -0.557 -12.673 1.00 0.00 H new ATOM 0 HA MET A 18 -1.662 -2.853 -11.872 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.475 -2.279 -12.742 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.937 -3.940 -12.894 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.056 -3.380 -10.672 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.476 -4.125 -10.530 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.024 -2.076 -7.480 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.730 -3.546 -8.192 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.007 -3.177 -8.441 1.00 0.00 H new ATOM 288 N LYS A 19 -2.486 -2.523 -15.131 1.00 0.00 N ATOM 289 CA LYS A 19 -2.191 -3.103 -16.440 1.00 0.00 C ATOM 290 C LYS A 19 -0.699 -3.122 -16.700 1.00 0.00 C ATOM 291 O LYS A 19 -0.263 -3.986 -17.444 1.00 0.00 O ATOM 292 CB LYS A 19 -3.110 -2.542 -17.572 1.00 0.00 C ATOM 293 CG LYS A 19 -2.604 -1.278 -18.319 1.00 0.00 C ATOM 294 CD LYS A 19 -1.656 -1.586 -19.513 1.00 0.00 C ATOM 295 CE LYS A 19 -1.345 -0.302 -20.333 1.00 0.00 C ATOM 296 NZ LYS A 19 -0.332 -0.560 -21.382 1.00 0.00 N ATOM 0 H LYS A 19 -3.122 -1.726 -15.139 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.468 -4.157 -16.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.266 -3.332 -18.307 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.084 -2.314 -17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.463 -0.717 -18.686 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.082 -0.634 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.726 -2.016 -19.140 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.115 -2.332 -20.162 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.261 0.068 -20.794 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.986 0.480 -19.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.148 0.317 -21.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.550 -0.889 -20.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.685 -1.289 -22.034 1.00 0.00 H new ATOM 310 N LEU A 20 0.109 -2.223 -16.082 1.00 0.00 N ATOM 311 CA LEU A 20 1.564 -2.337 -16.205 1.00 0.00 C ATOM 312 C LEU A 20 2.054 -3.454 -15.307 1.00 0.00 C ATOM 313 O LEU A 20 2.795 -4.293 -15.796 1.00 0.00 O ATOM 314 CB LEU A 20 2.344 -1.031 -15.867 1.00 0.00 C ATOM 315 CG LEU A 20 2.313 0.023 -17.016 1.00 0.00 C ATOM 316 CD1 LEU A 20 0.876 0.528 -17.297 1.00 0.00 C ATOM 317 CD2 LEU A 20 3.233 1.227 -16.683 1.00 0.00 C ATOM 0 H LEU A 20 -0.218 -1.441 -15.515 1.00 0.00 H new ATOM 0 HA LEU A 20 1.763 -2.547 -17.256 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.922 -0.587 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.380 -1.283 -15.643 1.00 0.00 H new ATOM 0 HG LEU A 20 2.680 -0.474 -17.914 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.899 1.260 -18.104 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.245 -0.312 -17.588 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.471 0.992 -16.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.196 1.950 -17.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.893 1.701 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.257 0.877 -16.554 1.00 0.00 H new ATOM 329 N LEU A 21 1.681 -3.501 -14.004 1.00 0.00 N ATOM 330 CA LEU A 21 2.201 -4.569 -13.143 1.00 0.00 C ATOM 331 C LEU A 21 1.887 -5.909 -13.778 1.00 0.00 C ATOM 332 O LEU A 21 2.765 -6.754 -13.856 1.00 0.00 O ATOM 333 CB LEU A 21 1.636 -4.625 -11.692 1.00 0.00 C ATOM 334 CG LEU A 21 1.699 -3.313 -10.856 1.00 0.00 C ATOM 335 CD1 LEU A 21 1.394 -3.612 -9.363 1.00 0.00 C ATOM 336 CD2 LEU A 21 3.073 -2.611 -10.974 1.00 0.00 C ATOM 0 H LEU A 21 1.050 -2.840 -13.550 1.00 0.00 H new ATOM 0 HA LEU A 21 3.265 -4.348 -13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.595 -4.942 -11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.177 -5.399 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 21 0.944 -2.639 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.441 -2.686 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.397 -4.043 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.130 -4.317 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.069 -1.701 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.855 -3.280 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.264 -2.357 -12.017 1.00 0.00 H new ATOM 348 N GLY A 22 0.626 -6.097 -14.233 1.00 0.00 N ATOM 349 CA GLY A 22 0.203 -7.357 -14.839 1.00 0.00 C ATOM 350 C GLY A 22 -0.587 -8.146 -13.822 1.00 0.00 C ATOM 351 O GLY A 22 -0.136 -9.212 -13.431 1.00 0.00 O ATOM 0 H GLY A 22 -0.105 -5.388 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.405 -7.165 -15.723 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.071 -7.928 -15.168 1.00 0.00 H new ATOM 355 N ILE A 23 -1.761 -7.625 -13.387 1.00 0.00 N ATOM 356 CA ILE A 23 -2.587 -8.317 -12.394 1.00 0.00 C ATOM 357 C ILE A 23 -3.753 -8.962 -13.106 1.00 0.00 C ATOM 358 O ILE A 23 -4.086 -8.524 -14.196 1.00 0.00 O ATOM 359 CB ILE A 23 -3.057 -7.304 -11.310 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.871 -6.515 -10.684 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.957 -7.948 -10.220 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.668 -7.377 -10.228 1.00 0.00 C ATOM 0 H ILE A 23 -2.145 -6.737 -13.710 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.016 -9.096 -11.888 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.683 -6.583 -11.836 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.518 -5.785 -11.412 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.242 -5.955 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.250 -7.189 -9.495 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.848 -8.368 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.405 -8.739 -9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.103 -6.732 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.997 -8.090 -9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.262 -7.917 -11.084 1.00 0.00 H new ATOM 374 N SER A 24 -4.379 -10.013 -12.526 1.00 0.00 N ATOM 375 CA SER A 24 -5.463 -10.696 -13.231 1.00 0.00 C ATOM 376 C SER A 24 -6.709 -9.847 -13.302 1.00 0.00 C ATOM 377 O SER A 24 -7.011 -9.186 -12.324 1.00 0.00 O ATOM 378 CB SER A 24 -5.846 -12.051 -12.586 1.00 0.00 C ATOM 379 OG SER A 24 -6.891 -12.660 -13.364 1.00 0.00 O ATOM 0 H SER A 24 -4.155 -10.388 -11.604 1.00 0.00 H new ATOM 0 HA SER A 24 -5.073 -10.878 -14.232 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.977 -12.707 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.180 -11.899 -11.560 1.00 0.00 H new ATOM 0 HG SER A 24 -7.707 -12.720 -12.825 1.00 0.00 H new ATOM 385 N SER A 25 -7.447 -9.861 -14.438 1.00 0.00 N ATOM 386 CA SER A 25 -8.585 -8.957 -14.604 1.00 0.00 C ATOM 387 C SER A 25 -9.611 -9.028 -13.498 1.00 0.00 C ATOM 388 O SER A 25 -10.248 -8.018 -13.245 1.00 0.00 O ATOM 389 CB SER A 25 -9.338 -9.234 -15.932 1.00 0.00 C ATOM 390 OG SER A 25 -10.472 -8.364 -16.089 1.00 0.00 O ATOM 0 H SER A 25 -7.272 -10.478 -15.231 1.00 0.00 H new ATOM 0 HA SER A 25 -8.131 -7.966 -14.592 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.657 -9.100 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.669 -10.272 -15.953 1.00 0.00 H new ATOM 0 HG SER A 25 -10.923 -8.564 -16.936 1.00 0.00 H new ATOM 396 N ASP A 26 -9.811 -10.188 -12.835 1.00 0.00 N ATOM 397 CA ASP A 26 -10.869 -10.264 -11.830 1.00 0.00 C ATOM 398 C ASP A 26 -10.330 -9.577 -10.605 1.00 0.00 C ATOM 399 O ASP A 26 -11.019 -8.768 -10.005 1.00 0.00 O ATOM 400 CB ASP A 26 -11.298 -11.725 -11.531 1.00 0.00 C ATOM 401 CG ASP A 26 -10.188 -12.532 -10.908 1.00 0.00 C ATOM 402 OD1 ASP A 26 -9.140 -12.713 -11.584 1.00 0.00 O ATOM 403 OD2 ASP A 26 -10.346 -12.983 -9.740 1.00 0.00 O ATOM 0 H ASP A 26 -9.275 -11.044 -12.975 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.776 -9.777 -12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.159 -11.719 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.617 -12.204 -12.457 1.00 0.00 H new ATOM 408 N VAL A 27 -9.066 -9.891 -10.250 1.00 0.00 N ATOM 409 CA VAL A 27 -8.442 -9.256 -9.103 1.00 0.00 C ATOM 410 C VAL A 27 -8.349 -7.769 -9.365 1.00 0.00 C ATOM 411 O VAL A 27 -8.533 -7.011 -8.425 1.00 0.00 O ATOM 412 CB VAL A 27 -7.056 -9.913 -8.841 1.00 0.00 C ATOM 413 CG1 VAL A 27 -6.280 -9.123 -7.762 1.00 0.00 C ATOM 414 CG2 VAL A 27 -7.216 -11.401 -8.409 1.00 0.00 C ATOM 0 H VAL A 27 -8.480 -10.568 -10.739 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.036 -9.396 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.489 -9.888 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.313 -9.595 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.128 -8.098 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.851 -9.118 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.232 -11.836 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.806 -11.453 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.722 -11.957 -9.198 1.00 0.00 H new ATOM 424 N ILE A 28 -8.088 -7.317 -10.617 1.00 0.00 N ATOM 425 CA ILE A 28 -8.069 -5.880 -10.871 1.00 0.00 C ATOM 426 C ILE A 28 -9.421 -5.352 -10.443 1.00 0.00 C ATOM 427 O ILE A 28 -9.501 -4.485 -9.586 1.00 0.00 O ATOM 428 CB ILE A 28 -7.746 -5.502 -12.353 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.279 -5.908 -12.678 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.942 -3.975 -12.588 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.848 -5.713 -14.154 1.00 0.00 C ATOM 0 H ILE A 28 -7.897 -7.908 -11.426 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.259 -5.424 -10.302 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.429 -6.037 -13.012 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.610 -5.328 -12.042 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.142 -6.956 -12.413 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.712 -3.734 -13.626 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.976 -3.704 -12.373 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.276 -3.417 -11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.811 -6.025 -14.274 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.485 -6.315 -14.802 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.944 -4.662 -14.425 1.00 0.00 H new ATOM 443 N GLU A 29 -10.515 -5.880 -11.034 1.00 0.00 N ATOM 444 CA GLU A 29 -11.834 -5.337 -10.722 1.00 0.00 C ATOM 445 C GLU A 29 -12.154 -5.413 -9.247 1.00 0.00 C ATOM 446 O GLU A 29 -12.959 -4.609 -8.802 1.00 0.00 O ATOM 447 CB GLU A 29 -12.970 -6.046 -11.507 1.00 0.00 C ATOM 448 CG GLU A 29 -12.937 -5.713 -13.024 1.00 0.00 C ATOM 449 CD GLU A 29 -13.132 -4.234 -13.256 1.00 0.00 C ATOM 450 OE1 GLU A 29 -14.267 -3.739 -13.019 1.00 0.00 O ATOM 451 OE2 GLU A 29 -12.153 -3.552 -13.667 1.00 0.00 O ATOM 0 H GLU A 29 -10.505 -6.651 -11.702 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.786 -4.292 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.883 -7.124 -11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.934 -5.750 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.984 -6.029 -13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.718 -6.272 -13.540 1.00 0.00 H new ATOM 458 N LYS A 30 -11.578 -6.346 -8.455 1.00 0.00 N ATOM 459 CA LYS A 30 -11.962 -6.401 -7.046 1.00 0.00 C ATOM 460 C LYS A 30 -11.503 -5.149 -6.342 1.00 0.00 C ATOM 461 O LYS A 30 -12.356 -4.370 -5.947 1.00 0.00 O ATOM 462 CB LYS A 30 -11.464 -7.663 -6.285 1.00 0.00 C ATOM 463 CG LYS A 30 -12.225 -8.941 -6.729 1.00 0.00 C ATOM 464 CD LYS A 30 -11.646 -10.213 -6.052 1.00 0.00 C ATOM 465 CE LYS A 30 -12.411 -11.509 -6.444 1.00 0.00 C ATOM 466 NZ LYS A 30 -12.355 -11.807 -7.895 1.00 0.00 N ATOM 0 H LYS A 30 -10.884 -7.031 -8.754 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.050 -6.470 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.397 -7.796 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.595 -7.516 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.281 -8.843 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.164 -9.044 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.597 -10.319 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.681 -10.090 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.993 -12.350 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.453 -11.413 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.952 -12.633 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.700 -10.986 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.373 -12.012 -8.170 1.00 0.00 H new ATOM 480 N ALA A 31 -10.180 -4.935 -6.169 1.00 0.00 N ATOM 481 CA ALA A 31 -9.729 -3.844 -5.304 1.00 0.00 C ATOM 482 C ALA A 31 -10.442 -2.554 -5.633 1.00 0.00 C ATOM 483 O ALA A 31 -10.768 -1.808 -4.723 1.00 0.00 O ATOM 484 CB ALA A 31 -8.214 -3.553 -5.420 1.00 0.00 C ATOM 0 H ALA A 31 -9.438 -5.484 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.957 -4.183 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.949 -2.734 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.650 -4.444 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.974 -3.276 -6.447 1.00 0.00 H new ATOM 490 N ARG A 32 -10.681 -2.280 -6.938 1.00 0.00 N ATOM 491 CA ARG A 32 -11.299 -1.007 -7.312 1.00 0.00 C ATOM 492 C ARG A 32 -12.777 -1.017 -6.995 1.00 0.00 C ATOM 493 O ARG A 32 -13.294 0.042 -6.674 1.00 0.00 O ATOM 494 CB ARG A 32 -10.948 -0.617 -8.775 1.00 0.00 C ATOM 495 CG ARG A 32 -11.674 -1.439 -9.878 1.00 0.00 C ATOM 496 CD ARG A 32 -12.921 -0.709 -10.447 1.00 0.00 C ATOM 497 NE ARG A 32 -12.531 0.531 -11.128 1.00 0.00 N ATOM 498 CZ ARG A 32 -11.994 0.585 -12.331 1.00 0.00 C ATOM 499 NH1 ARG A 32 -11.761 -0.473 -13.077 1.00 0.00 N ATOM 500 NH2 ARG A 32 -11.670 1.763 -12.818 1.00 0.00 N ATOM 0 H ARG A 32 -10.462 -2.903 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.877 -0.207 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.183 0.438 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.872 -0.726 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.977 -1.645 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.978 -2.402 -9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.445 -1.363 -11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.616 -0.483 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.686 1.412 -10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.999 -1.403 -12.732 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.342 -0.364 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.836 2.606 -12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.253 1.834 -13.746 1.00 0.00 H new ATOM 514 N ASN A 33 -13.462 -2.187 -7.046 1.00 0.00 N ATOM 515 CA ASN A 33 -14.847 -2.277 -6.579 1.00 0.00 C ATOM 516 C ASN A 33 -14.899 -2.916 -5.203 1.00 0.00 C ATOM 517 O ASN A 33 -15.863 -3.612 -4.925 1.00 0.00 O ATOM 518 CB ASN A 33 -15.689 -3.094 -7.599 1.00 0.00 C ATOM 519 CG ASN A 33 -15.589 -2.518 -8.992 1.00 0.00 C ATOM 520 OD1 ASN A 33 -16.173 -1.326 -9.247 1.00 0.00 O flip ATOM 521 ND2 ASN A 33 -14.989 -3.144 -9.852 1.00 0.00 N flip ATOM 0 H ASN A 33 -13.076 -3.062 -7.402 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.266 -1.274 -6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.347 -4.129 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.732 -3.106 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.560 -4.041 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.917 -2.770 -10.798 1.00 0.00 H new ATOM 528 N PHE A 34 -13.888 -2.702 -4.324 1.00 0.00 N ATOM 529 CA PHE A 34 -13.900 -3.321 -2.997 1.00 0.00 C ATOM 530 C PHE A 34 -13.148 -2.472 -1.995 1.00 0.00 C ATOM 531 O PHE A 34 -12.162 -1.867 -2.384 1.00 0.00 O ATOM 532 CB PHE A 34 -13.187 -4.687 -3.131 1.00 0.00 C ATOM 533 CG PHE A 34 -12.959 -5.433 -1.809 1.00 0.00 C ATOM 534 CD1 PHE A 34 -14.005 -5.622 -0.898 1.00 0.00 C ATOM 535 CD2 PHE A 34 -11.690 -5.941 -1.506 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.760 -6.204 0.348 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.450 -6.558 -0.276 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.480 -6.667 0.660 1.00 0.00 C ATOM 0 H PHE A 34 -13.075 -2.116 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.926 -3.428 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.775 -5.323 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.222 -4.530 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.007 -5.316 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.891 -5.855 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.559 -6.296 1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.469 -6.950 -0.050 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.287 -7.110 1.626 1.00 0.00 H new ATOM 548 N LYS A 35 -13.587 -2.420 -0.715 1.00 0.00 N ATOM 549 CA LYS A 35 -12.872 -1.639 0.291 1.00 0.00 C ATOM 550 C LYS A 35 -11.844 -2.554 0.912 1.00 0.00 C ATOM 551 O LYS A 35 -12.132 -3.160 1.933 1.00 0.00 O ATOM 552 CB LYS A 35 -13.836 -1.059 1.369 1.00 0.00 C ATOM 553 CG LYS A 35 -14.612 0.203 0.895 1.00 0.00 C ATOM 554 CD LYS A 35 -15.394 -0.012 -0.430 1.00 0.00 C ATOM 555 CE LYS A 35 -16.228 1.242 -0.809 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.949 1.043 -2.089 1.00 0.00 N ATOM 0 H LYS A 35 -14.417 -2.903 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.393 -0.777 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.552 -1.829 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.262 -0.809 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.311 0.504 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.908 1.025 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.694 -0.241 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.055 -0.873 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.944 1.459 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.571 2.108 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.497 1.897 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.263 0.860 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.594 0.231 -2.002 1.00 0.00 H new ATOM 570 N ILE A 36 -10.628 -2.656 0.323 1.00 0.00 N ATOM 571 CA ILE A 36 -9.559 -3.380 1.008 1.00 0.00 C ATOM 572 C ILE A 36 -9.364 -2.640 2.311 1.00 0.00 C ATOM 573 O ILE A 36 -9.189 -1.433 2.251 1.00 0.00 O ATOM 574 CB ILE A 36 -8.224 -3.445 0.200 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.400 -4.374 -1.039 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.046 -3.914 1.103 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.166 -4.434 -1.978 1.00 0.00 C ATOM 0 H ILE A 36 -10.380 -2.262 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.838 -4.425 1.145 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.977 -2.444 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.626 -5.382 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.262 -4.034 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.129 -3.950 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.920 -3.214 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.263 -4.906 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.376 -5.103 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.950 -3.436 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.304 -4.806 -1.423 1.00 0.00 H new ATOM 589 N VAL A 37 -9.394 -3.324 3.480 1.00 0.00 N ATOM 590 CA VAL A 37 -9.193 -2.631 4.749 1.00 0.00 C ATOM 591 C VAL A 37 -7.708 -2.596 4.975 1.00 0.00 C ATOM 592 O VAL A 37 -7.013 -3.470 4.485 1.00 0.00 O ATOM 593 CB VAL A 37 -9.967 -3.267 5.937 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.658 -2.633 7.324 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.481 -3.139 5.660 1.00 0.00 C ATOM 0 H VAL A 37 -9.552 -4.329 3.558 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.606 -1.624 4.696 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.640 -4.305 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.242 -3.138 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.596 -2.741 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.919 -1.575 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.040 -3.581 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.746 -2.086 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.727 -3.660 4.735 1.00 0.00 H new ATOM 605 N THR A 38 -7.223 -1.572 5.703 1.00 0.00 N ATOM 606 CA THR A 38 -5.791 -1.382 5.865 1.00 0.00 C ATOM 607 C THR A 38 -5.531 -0.945 7.283 1.00 0.00 C ATOM 608 O THR A 38 -6.018 0.113 7.638 1.00 0.00 O ATOM 609 CB THR A 38 -5.305 -0.334 4.829 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.379 -0.866 3.494 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.872 0.158 5.157 1.00 0.00 C ATOM 0 H THR A 38 -7.802 -0.879 6.177 1.00 0.00 H new ATOM 0 HA THR A 38 -5.239 -2.305 5.686 1.00 0.00 H new ATOM 0 HB THR A 38 -5.969 0.529 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.070 -0.190 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.560 0.891 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.862 0.617 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.185 -0.688 5.143 1.00 0.00 H new ATOM 619 N GLU A 39 -4.778 -1.726 8.089 1.00 0.00 N ATOM 620 CA GLU A 39 -4.425 -1.318 9.446 1.00 0.00 C ATOM 621 C GLU A 39 -2.960 -0.976 9.440 1.00 0.00 C ATOM 622 O GLU A 39 -2.255 -1.461 8.569 1.00 0.00 O ATOM 623 CB GLU A 39 -4.611 -2.494 10.451 1.00 0.00 C ATOM 624 CG GLU A 39 -6.090 -2.699 10.875 1.00 0.00 C ATOM 625 CD GLU A 39 -6.475 -1.829 12.047 1.00 0.00 C ATOM 626 OE1 GLU A 39 -5.791 -0.803 12.310 1.00 0.00 O ATOM 627 OE2 GLU A 39 -7.469 -2.180 12.737 1.00 0.00 O ATOM 0 H GLU A 39 -4.409 -2.637 7.815 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.059 -0.483 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.237 -3.413 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.007 -2.306 11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.742 -2.477 10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.250 -3.746 11.134 1.00 0.00 H new ATOM 634 N VAL A 40 -2.497 -0.160 10.416 1.00 0.00 N ATOM 635 CA VAL A 40 -1.068 0.121 10.529 1.00 0.00 C ATOM 636 C VAL A 40 -0.689 0.228 11.988 1.00 0.00 C ATOM 637 O VAL A 40 -1.533 0.651 12.761 1.00 0.00 O ATOM 638 CB VAL A 40 -0.672 1.431 9.785 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.870 1.598 9.731 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.236 1.460 8.339 1.00 0.00 C ATOM 0 H VAL A 40 -3.083 0.299 11.113 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.527 -0.701 10.060 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.106 2.256 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.118 2.521 9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.267 1.640 10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.309 0.751 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.939 2.389 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.841 0.613 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.324 1.399 8.371 1.00 0.00 H new ATOM 650 N GLN A 41 0.560 -0.131 12.377 1.00 0.00 N ATOM 651 CA GLN A 41 1.020 0.148 13.736 1.00 0.00 C ATOM 652 C GLN A 41 2.492 0.505 13.675 1.00 0.00 C ATOM 653 O GLN A 41 3.334 -0.369 13.790 1.00 0.00 O ATOM 654 CB GLN A 41 0.740 -1.050 14.678 1.00 0.00 C ATOM 655 CG GLN A 41 1.064 -0.699 16.155 1.00 0.00 C ATOM 656 CD GLN A 41 0.832 -1.901 17.040 1.00 0.00 C ATOM 657 OE1 GLN A 41 -0.171 -1.942 17.735 1.00 0.00 O ATOM 658 NE2 GLN A 41 1.742 -2.899 17.029 1.00 0.00 N ATOM 0 H GLN A 41 1.240 -0.600 11.779 1.00 0.00 H new ATOM 0 HA GLN A 41 0.470 0.991 14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.306 -1.344 14.594 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.338 -1.907 14.367 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.100 -0.371 16.240 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.439 0.131 16.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.568 -2.829 16.435 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.603 -3.722 17.615 1.00 0.00 H new ATOM 667 N GLN A 42 2.817 1.802 13.482 1.00 0.00 N ATOM 668 CA GLN A 42 4.215 2.229 13.428 1.00 0.00 C ATOM 669 C GLN A 42 4.816 2.037 14.802 1.00 0.00 C ATOM 670 O GLN A 42 4.767 2.954 15.605 1.00 0.00 O ATOM 671 CB GLN A 42 4.301 3.692 12.910 1.00 0.00 C ATOM 672 CG GLN A 42 5.739 4.279 12.866 1.00 0.00 C ATOM 673 CD GLN A 42 6.166 4.904 14.172 1.00 0.00 C ATOM 674 OE1 GLN A 42 7.082 4.398 14.800 1.00 0.00 O ATOM 675 NE2 GLN A 42 5.527 6.013 14.606 1.00 0.00 N ATOM 0 H GLN A 42 2.137 2.553 13.364 1.00 0.00 H new ATOM 0 HA GLN A 42 4.793 1.629 12.725 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.875 3.734 11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.683 4.326 13.546 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.440 3.487 12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.795 5.029 12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.765 6.410 14.057 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.807 6.452 15.483 1.00 0.00 H new ATOM 684 N ASP A 43 5.381 0.837 15.082 1.00 0.00 N ATOM 685 CA ASP A 43 6.001 0.561 16.368 1.00 0.00 C ATOM 686 C ASP A 43 7.466 0.908 16.247 1.00 0.00 C ATOM 687 O ASP A 43 8.303 0.018 16.242 1.00 0.00 O ATOM 688 CB ASP A 43 5.759 -0.933 16.722 1.00 0.00 C ATOM 689 CG ASP A 43 6.377 -1.908 15.749 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.143 -1.752 14.522 1.00 0.00 O ATOM 691 OD2 ASP A 43 7.100 -2.840 16.197 1.00 0.00 O ATOM 0 H ASP A 43 5.412 0.057 14.425 1.00 0.00 H new ATOM 0 HA ASP A 43 5.575 1.155 17.176 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.158 -1.128 17.717 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.685 -1.114 16.768 1.00 0.00 H new ATOM 696 N GLY A 44 7.794 2.217 16.146 1.00 0.00 N ATOM 697 CA GLY A 44 9.192 2.611 16.012 1.00 0.00 C ATOM 698 C GLY A 44 9.680 2.407 14.599 1.00 0.00 C ATOM 699 O GLY A 44 8.878 2.338 13.681 1.00 0.00 O ATOM 0 H GLY A 44 7.125 2.987 16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.307 3.658 16.292 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.805 2.028 16.700 1.00 0.00 H new ATOM 703 N GLN A 45 11.019 2.319 14.435 1.00 0.00 N ATOM 704 CA GLN A 45 11.616 2.051 13.122 1.00 0.00 C ATOM 705 C GLN A 45 10.949 0.853 12.481 1.00 0.00 C ATOM 706 O GLN A 45 10.816 0.857 11.268 1.00 0.00 O ATOM 707 CB GLN A 45 13.150 1.817 13.288 1.00 0.00 C ATOM 708 CG GLN A 45 13.936 1.953 11.960 1.00 0.00 C ATOM 709 CD GLN A 45 15.388 1.574 12.135 1.00 0.00 C ATOM 710 OE1 GLN A 45 15.790 0.519 11.668 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.204 2.416 12.806 1.00 0.00 N ATOM 0 H GLN A 45 11.695 2.429 15.191 1.00 0.00 H new ATOM 0 HA GLN A 45 11.463 2.910 12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.544 2.532 14.010 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.317 0.822 13.701 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.482 1.317 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.868 2.979 11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.837 3.289 13.184 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.187 2.178 12.935 1.00 0.00 H new ATOM 720 N ASP A 46 10.504 -0.169 13.253 1.00 0.00 N ATOM 721 CA ASP A 46 9.745 -1.261 12.647 1.00 0.00 C ATOM 722 C ASP A 46 8.305 -0.826 12.501 1.00 0.00 C ATOM 723 O ASP A 46 7.839 -0.091 13.357 1.00 0.00 O ATOM 724 CB ASP A 46 9.804 -2.580 13.454 1.00 0.00 C ATOM 725 CG ASP A 46 8.951 -3.637 12.797 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.410 -4.231 11.783 1.00 0.00 O ATOM 727 OD2 ASP A 46 7.812 -3.879 13.281 1.00 0.00 O ATOM 0 H ASP A 46 10.656 -0.250 14.258 1.00 0.00 H new ATOM 0 HA ASP A 46 10.201 -1.471 11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.835 -2.926 13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.458 -2.406 14.473 1.00 0.00 H new ATOM 732 N PHE A 47 7.597 -1.273 11.436 1.00 0.00 N ATOM 733 CA PHE A 47 6.168 -0.991 11.287 1.00 0.00 C ATOM 734 C PHE A 47 5.467 -2.327 11.221 1.00 0.00 C ATOM 735 O PHE A 47 6.130 -3.302 10.904 1.00 0.00 O ATOM 736 CB PHE A 47 5.822 -0.231 9.978 1.00 0.00 C ATOM 737 CG PHE A 47 6.201 1.265 9.959 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.485 1.698 10.313 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.263 2.229 9.562 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.813 3.057 10.296 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.628 3.571 9.417 1.00 0.00 C ATOM 742 CZ PHE A 47 6.905 3.991 9.793 1.00 0.00 C ATOM 0 H PHE A 47 7.998 -1.825 10.678 1.00 0.00 H new ATOM 0 HA PHE A 47 5.860 -0.364 12.124 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.325 -0.726 9.147 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.750 -0.319 9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.231 0.973 10.603 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.244 1.931 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.771 3.385 10.673 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.922 4.282 9.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.188 5.029 9.696 1.00 0.00 H new ATOM 752 N THR A 48 4.140 -2.378 11.489 1.00 0.00 N ATOM 753 CA THR A 48 3.378 -3.614 11.310 1.00 0.00 C ATOM 754 C THR A 48 2.233 -3.206 10.412 1.00 0.00 C ATOM 755 O THR A 48 1.123 -3.009 10.881 1.00 0.00 O ATOM 756 CB THR A 48 2.987 -4.277 12.672 1.00 0.00 C ATOM 757 OG1 THR A 48 1.653 -3.976 13.113 1.00 0.00 O ATOM 758 CG2 THR A 48 3.945 -3.833 13.806 1.00 0.00 C ATOM 0 H THR A 48 3.592 -1.586 11.824 1.00 0.00 H new ATOM 0 HA THR A 48 3.946 -4.420 10.845 1.00 0.00 H new ATOM 0 HB THR A 48 3.057 -5.347 12.476 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.248 -3.322 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.648 -4.310 14.740 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.965 -4.126 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.897 -2.750 13.920 1.00 0.00 H new ATOM 766 N TRP A 49 2.497 -3.042 9.095 1.00 0.00 N ATOM 767 CA TRP A 49 1.432 -2.607 8.200 1.00 0.00 C ATOM 768 C TRP A 49 0.576 -3.810 7.929 1.00 0.00 C ATOM 769 O TRP A 49 1.115 -4.900 8.026 1.00 0.00 O ATOM 770 CB TRP A 49 1.992 -2.130 6.842 1.00 0.00 C ATOM 771 CG TRP A 49 1.178 -1.104 6.111 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.098 -1.256 5.326 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.512 0.363 6.124 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.212 -0.097 4.799 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.629 0.878 5.200 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.425 1.149 6.820 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.704 2.213 4.806 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.429 2.514 6.516 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.628 3.022 5.483 1.00 0.00 C ATOM 0 H TRP A 49 3.403 -3.200 8.654 1.00 0.00 H new ATOM 0 HA TRP A 49 0.888 -1.784 8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.989 -1.721 7.008 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.107 -3.000 6.195 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.429 -2.183 5.157 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.995 0.050 4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.094 0.728 7.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.080 2.606 4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.057 3.185 7.084 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.725 4.060 5.202 1.00 0.00 H new ATOM 790 N SER A 50 -0.710 -3.648 7.557 1.00 0.00 N ATOM 791 CA SER A 50 -1.475 -4.806 7.107 1.00 0.00 C ATOM 792 C SER A 50 -2.519 -4.390 6.104 1.00 0.00 C ATOM 793 O SER A 50 -2.855 -3.217 6.077 1.00 0.00 O ATOM 794 CB SER A 50 -2.111 -5.607 8.263 1.00 0.00 C ATOM 795 OG SER A 50 -1.153 -5.790 9.318 1.00 0.00 O ATOM 0 H SER A 50 -1.215 -2.762 7.561 1.00 0.00 H new ATOM 0 HA SER A 50 -0.765 -5.480 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.987 -5.081 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.454 -6.576 7.900 1.00 0.00 H new ATOM 0 HG SER A 50 -1.564 -6.298 10.049 1.00 0.00 H new ATOM 801 N GLN A 51 -3.011 -5.341 5.275 1.00 0.00 N ATOM 802 CA GLN A 51 -3.924 -4.999 4.191 1.00 0.00 C ATOM 803 C GLN A 51 -5.016 -6.044 4.218 1.00 0.00 C ATOM 804 O GLN A 51 -4.950 -7.004 3.466 1.00 0.00 O ATOM 805 CB GLN A 51 -3.110 -4.958 2.869 1.00 0.00 C ATOM 806 CG GLN A 51 -1.884 -4.012 3.002 1.00 0.00 C ATOM 807 CD GLN A 51 -1.174 -3.776 1.688 1.00 0.00 C ATOM 808 OE1 GLN A 51 -0.018 -4.151 1.567 1.00 0.00 O ATOM 809 NE2 GLN A 51 -1.830 -3.150 0.686 1.00 0.00 N ATOM 0 H GLN A 51 -2.787 -6.334 5.345 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.390 -4.019 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.773 -5.963 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.749 -4.619 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.213 -3.055 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.180 -4.437 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.796 -2.849 0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.360 -2.979 -0.203 1.00 0.00 H new ATOM 818 N HIS A 52 -6.015 -5.878 5.118 1.00 0.00 N ATOM 819 CA HIS A 52 -6.995 -6.938 5.335 1.00 0.00 C ATOM 820 C HIS A 52 -8.010 -6.919 4.226 1.00 0.00 C ATOM 821 O HIS A 52 -8.310 -5.835 3.755 1.00 0.00 O ATOM 822 CB HIS A 52 -7.753 -6.900 6.688 1.00 0.00 C ATOM 823 CG HIS A 52 -6.848 -6.520 7.827 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.259 -7.390 8.612 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.523 -5.264 8.191 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.514 -6.768 9.465 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.623 -5.530 9.283 1.00 0.00 N ATOM 0 H HIS A 52 -6.152 -5.041 5.685 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.404 -7.854 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.575 -6.187 6.624 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.194 -7.877 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.372 -8.402 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.847 -4.320 7.778 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.896 -7.238 10.215 1.00 0.00 H new ATOM 835 N TYR A 53 -8.554 -8.088 3.811 1.00 0.00 N ATOM 836 CA TYR A 53 -9.618 -8.093 2.811 1.00 0.00 C ATOM 837 C TYR A 53 -10.905 -8.195 3.601 1.00 0.00 C ATOM 838 O TYR A 53 -11.595 -9.198 3.514 1.00 0.00 O ATOM 839 CB TYR A 53 -9.443 -9.243 1.781 1.00 0.00 C ATOM 840 CG TYR A 53 -8.146 -9.212 0.946 1.00 0.00 C ATOM 841 CD1 TYR A 53 -7.110 -8.288 1.136 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.990 -10.176 -0.056 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.877 -8.459 0.498 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.758 -10.363 -0.690 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.677 -9.531 -0.376 1.00 0.00 C ATOM 846 OH TYR A 53 -4.409 -9.743 -0.927 1.00 0.00 O ATOM 0 H TYR A 53 -8.275 -9.009 4.149 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.608 -7.190 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.485 -10.192 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.292 -9.224 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.265 -7.436 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.834 -10.785 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.075 -7.759 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.640 -11.149 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.926 -10.407 -0.391 1.00 0.00 H new ATOM 856 N SER A 54 -11.228 -7.138 4.384 1.00 0.00 N ATOM 857 CA SER A 54 -12.459 -7.128 5.172 1.00 0.00 C ATOM 858 C SER A 54 -12.614 -8.392 5.987 1.00 0.00 C ATOM 859 O SER A 54 -13.673 -8.999 5.958 1.00 0.00 O ATOM 860 CB SER A 54 -13.674 -6.843 4.255 1.00 0.00 C ATOM 861 OG SER A 54 -14.852 -6.666 5.061 1.00 0.00 O ATOM 0 H SER A 54 -10.656 -6.299 4.479 1.00 0.00 H new ATOM 0 HA SER A 54 -12.404 -6.318 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.491 -5.949 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.818 -7.668 3.557 1.00 0.00 H new ATOM 0 HG SER A 54 -14.977 -7.451 5.634 1.00 0.00 H new ATOM 867 N GLY A 55 -11.557 -8.794 6.732 1.00 0.00 N ATOM 868 CA GLY A 55 -11.671 -9.937 7.638 1.00 0.00 C ATOM 869 C GLY A 55 -11.295 -11.262 7.015 1.00 0.00 C ATOM 870 O GLY A 55 -10.830 -12.118 7.752 1.00 0.00 O ATOM 0 H GLY A 55 -10.640 -8.348 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.035 -9.763 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.697 -9.997 8.001 1.00 0.00 H new ATOM 874 N GLY A 56 -11.499 -11.485 5.695 1.00 0.00 N ATOM 875 CA GLY A 56 -11.184 -12.792 5.116 1.00 0.00 C ATOM 876 C GLY A 56 -9.689 -12.911 4.929 1.00 0.00 C ATOM 877 O GLY A 56 -8.982 -12.886 5.925 1.00 0.00 O ATOM 0 H GLY A 56 -11.868 -10.797 5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.544 -13.587 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.692 -12.910 4.159 1.00 0.00 H new ATOM 881 N HIS A 57 -9.177 -13.030 3.680 1.00 0.00 N ATOM 882 CA HIS A 57 -7.726 -13.055 3.483 1.00 0.00 C ATOM 883 C HIS A 57 -7.112 -11.861 4.174 1.00 0.00 C ATOM 884 O HIS A 57 -7.779 -10.842 4.265 1.00 0.00 O ATOM 885 CB HIS A 57 -7.354 -13.023 1.975 1.00 0.00 C ATOM 886 CG HIS A 57 -5.912 -12.668 1.703 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.994 -13.498 1.259 1.00 0.00 N ATOM 888 CD2 HIS A 57 -5.378 -11.443 1.868 1.00 0.00 C ATOM 889 CE1 HIS A 57 -3.871 -12.867 1.113 1.00 0.00 C ATOM 890 NE2 HIS A 57 -4.021 -11.670 1.453 1.00 0.00 N ATOM 0 H HIS A 57 -9.732 -13.107 2.828 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.340 -13.982 3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.565 -13.999 1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.996 -12.302 1.469 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.143 -14.487 1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.844 -10.534 2.218 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.951 -13.304 0.755 1.00 0.00 H new ATOM 898 N THR A 58 -5.845 -11.966 4.642 1.00 0.00 N ATOM 899 CA THR A 58 -5.142 -10.794 5.157 1.00 0.00 C ATOM 900 C THR A 58 -3.749 -10.799 4.577 1.00 0.00 C ATOM 901 O THR A 58 -2.967 -11.640 4.992 1.00 0.00 O ATOM 902 CB THR A 58 -5.098 -10.761 6.709 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.433 -10.762 7.240 1.00 0.00 O ATOM 904 CG2 THR A 58 -4.252 -9.559 7.211 1.00 0.00 C ATOM 0 H THR A 58 -5.310 -12.834 4.669 1.00 0.00 H new ATOM 0 HA THR A 58 -5.681 -9.895 4.856 1.00 0.00 H new ATOM 0 HB THR A 58 -4.604 -11.661 7.076 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.396 -10.743 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.235 -9.556 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.234 -9.648 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.693 -8.629 6.852 1.00 0.00 H new ATOM 912 N MET A 59 -3.411 -9.879 3.642 1.00 0.00 N ATOM 913 CA MET A 59 -2.027 -9.779 3.191 1.00 0.00 C ATOM 914 C MET A 59 -1.363 -8.862 4.190 1.00 0.00 C ATOM 915 O MET A 59 -2.088 -8.059 4.757 1.00 0.00 O ATOM 916 CB MET A 59 -1.928 -9.146 1.775 1.00 0.00 C ATOM 917 CG MET A 59 -0.632 -9.578 1.042 1.00 0.00 C ATOM 918 SD MET A 59 -0.232 -8.501 -0.368 1.00 0.00 S ATOM 919 CE MET A 59 0.026 -6.893 0.453 1.00 0.00 C ATOM 0 H MET A 59 -4.060 -9.223 3.207 1.00 0.00 H new ATOM 0 HA MET A 59 -1.564 -10.764 3.129 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.795 -9.440 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.953 -8.060 1.860 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.199 -9.571 1.747 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.743 -10.604 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.924 -6.421 0.055 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.834 -6.249 0.270 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.142 -7.047 1.526 1.00 0.00 H new ATOM 929 N THR A 60 -0.031 -8.938 4.424 1.00 0.00 N ATOM 930 CA THR A 60 0.600 -8.023 5.372 1.00 0.00 C ATOM 931 C THR A 60 1.894 -7.463 4.827 1.00 0.00 C ATOM 932 O THR A 60 2.513 -8.126 4.011 1.00 0.00 O ATOM 933 CB THR A 60 0.812 -8.813 6.688 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.415 -9.433 7.102 1.00 0.00 O ATOM 935 CG2 THR A 60 1.411 -8.004 7.866 1.00 0.00 C ATOM 0 H THR A 60 0.600 -9.605 3.980 1.00 0.00 H new ATOM 0 HA THR A 60 -0.035 -7.156 5.553 1.00 0.00 H new ATOM 0 HB THR A 60 1.565 -9.561 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.266 -9.930 7.934 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.517 -8.652 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.389 -7.616 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.749 -7.174 8.111 1.00 0.00 H new ATOM 943 N ASN A 61 2.303 -6.250 5.273 1.00 0.00 N ATOM 944 CA ASN A 61 3.549 -5.641 4.814 1.00 0.00 C ATOM 945 C ASN A 61 4.295 -5.173 6.047 1.00 0.00 C ATOM 946 O ASN A 61 4.397 -3.982 6.294 1.00 0.00 O ATOM 947 CB ASN A 61 3.230 -4.506 3.800 1.00 0.00 C ATOM 948 CG ASN A 61 2.940 -4.981 2.396 1.00 0.00 C ATOM 949 OD1 ASN A 61 2.897 -6.175 2.145 1.00 0.00 O ATOM 950 ND2 ASN A 61 2.739 -4.040 1.448 1.00 0.00 N ATOM 0 H ASN A 61 1.783 -5.687 5.946 1.00 0.00 H new ATOM 0 HA ASN A 61 4.187 -6.343 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.371 -3.943 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.074 -3.816 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.544 -4.318 0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.782 -3.051 1.694 1.00 0.00 H new ATOM 957 N LYS A 62 4.842 -6.119 6.847 1.00 0.00 N ATOM 958 CA LYS A 62 5.692 -5.711 7.963 1.00 0.00 C ATOM 959 C LYS A 62 6.995 -5.250 7.358 1.00 0.00 C ATOM 960 O LYS A 62 7.429 -5.864 6.396 1.00 0.00 O ATOM 961 CB LYS A 62 5.995 -6.875 8.945 1.00 0.00 C ATOM 962 CG LYS A 62 6.790 -6.422 10.207 1.00 0.00 C ATOM 963 CD LYS A 62 7.343 -7.613 11.045 1.00 0.00 C ATOM 964 CE LYS A 62 8.814 -7.993 10.700 1.00 0.00 C ATOM 965 NZ LYS A 62 9.038 -8.380 9.288 1.00 0.00 N ATOM 0 H LYS A 62 4.712 -7.125 6.740 1.00 0.00 H new ATOM 0 HA LYS A 62 5.181 -4.936 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.056 -7.331 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.563 -7.644 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.621 -5.788 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.142 -5.813 10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.281 -7.360 12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.706 -8.483 10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.459 -7.147 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.122 -8.818 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.041 -8.616 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.452 -9.208 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.778 -7.588 8.666 1.00 0.00 H new ATOM 979 N PHE A 63 7.637 -4.194 7.904 1.00 0.00 N ATOM 980 CA PHE A 63 8.946 -3.797 7.390 1.00 0.00 C ATOM 981 C PHE A 63 9.687 -2.950 8.393 1.00 0.00 C ATOM 982 O PHE A 63 9.068 -2.521 9.353 1.00 0.00 O ATOM 983 CB PHE A 63 8.806 -3.032 6.048 1.00 0.00 C ATOM 984 CG PHE A 63 7.850 -1.841 6.197 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.246 -0.689 6.885 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.569 -1.899 5.634 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.340 0.358 7.077 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.664 -0.852 5.821 1.00 0.00 C ATOM 989 CZ PHE A 63 6.039 0.257 6.583 1.00 0.00 C ATOM 0 H PHE A 63 7.279 -3.626 8.672 1.00 0.00 H new ATOM 0 HA PHE A 63 9.520 -4.707 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.784 -2.680 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.436 -3.707 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.253 -0.609 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.279 -2.760 5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.647 1.246 7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.680 -0.899 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.321 1.037 6.790 1.00 0.00 H new ATOM 999 N THR A 64 10.998 -2.695 8.163 1.00 0.00 N ATOM 1000 CA THR A 64 11.750 -1.775 9.010 1.00 0.00 C ATOM 1001 C THR A 64 12.357 -0.720 8.116 1.00 0.00 C ATOM 1002 O THR A 64 12.827 -1.080 7.048 1.00 0.00 O ATOM 1003 CB THR A 64 12.752 -2.557 9.890 1.00 0.00 C ATOM 1004 OG1 THR A 64 11.998 -3.463 10.715 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.599 -1.600 10.768 1.00 0.00 C ATOM 0 H THR A 64 11.539 -3.113 7.406 1.00 0.00 H new ATOM 0 HA THR A 64 11.115 -1.255 9.727 1.00 0.00 H new ATOM 0 HB THR A 64 13.448 -3.106 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.052 -3.207 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.293 -2.181 11.375 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.159 -0.919 10.128 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.941 -1.026 11.420 1.00 0.00 H new ATOM 1013 N VAL A 65 12.318 0.575 8.520 1.00 0.00 N ATOM 1014 CA VAL A 65 12.698 1.657 7.626 1.00 0.00 C ATOM 1015 C VAL A 65 14.156 1.966 7.847 1.00 0.00 C ATOM 1016 O VAL A 65 14.657 1.711 8.930 1.00 0.00 O ATOM 1017 CB VAL A 65 11.770 2.903 7.775 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.320 2.518 8.156 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.301 3.985 8.746 1.00 0.00 C ATOM 0 H VAL A 65 12.029 0.876 9.451 1.00 0.00 H new ATOM 0 HA VAL A 65 12.563 1.344 6.591 1.00 0.00 H new ATOM 0 HB VAL A 65 11.769 3.348 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.716 3.421 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.899 1.876 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.323 1.986 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.594 4.814 8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.417 3.555 9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.266 4.349 8.393 1.00 0.00 H new ATOM 1029 N GLY A 66 14.865 2.491 6.824 1.00 0.00 N ATOM 1030 CA GLY A 66 16.305 2.652 6.957 1.00 0.00 C ATOM 1031 C GLY A 66 16.946 1.299 7.164 1.00 0.00 C ATOM 1032 O GLY A 66 18.031 1.265 7.722 1.00 0.00 O ATOM 0 H GLY A 66 14.471 2.796 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.713 3.127 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.532 3.307 7.798 1.00 0.00 H new ATOM 1036 N LYS A 67 16.302 0.187 6.723 1.00 0.00 N ATOM 1037 CA LYS A 67 16.879 -1.140 6.927 1.00 0.00 C ATOM 1038 C LYS A 67 16.558 -2.041 5.746 1.00 0.00 C ATOM 1039 O LYS A 67 17.495 -2.479 5.100 1.00 0.00 O ATOM 1040 CB LYS A 67 16.347 -1.687 8.283 1.00 0.00 C ATOM 1041 CG LYS A 67 17.089 -2.958 8.786 1.00 0.00 C ATOM 1042 CD LYS A 67 18.498 -2.654 9.370 1.00 0.00 C ATOM 1043 CE LYS A 67 19.265 -3.933 9.811 1.00 0.00 C ATOM 1044 NZ LYS A 67 18.598 -4.685 10.899 1.00 0.00 N ATOM 0 H LYS A 67 15.405 0.194 6.237 1.00 0.00 H new ATOM 0 HA LYS A 67 17.967 -1.098 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.434 -0.905 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.286 -1.915 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.484 -3.446 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 67 17.189 -3.663 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.088 -2.124 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.394 -1.987 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.384 -4.589 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.266 -3.651 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.165 -5.523 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.507 -4.076 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.653 -4.985 10.585 1.00 0.00 H new ATOM 1058 N GLU A 68 15.255 -2.298 5.468 1.00 0.00 N ATOM 1059 CA GLU A 68 14.787 -3.104 4.341 1.00 0.00 C ATOM 1060 C GLU A 68 14.168 -4.356 4.901 1.00 0.00 C ATOM 1061 O GLU A 68 14.541 -4.764 5.990 1.00 0.00 O ATOM 1062 CB GLU A 68 15.745 -3.473 3.170 1.00 0.00 C ATOM 1063 CG GLU A 68 16.533 -4.782 3.440 1.00 0.00 C ATOM 1064 CD GLU A 68 17.600 -4.976 2.393 1.00 0.00 C ATOM 1065 OE1 GLU A 68 17.239 -5.068 1.188 1.00 0.00 O ATOM 1066 OE2 GLU A 68 18.804 -5.035 2.762 1.00 0.00 O ATOM 0 H GLU A 68 14.493 -1.937 6.042 1.00 0.00 H new ATOM 0 HA GLU A 68 14.102 -2.427 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.167 -3.583 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.448 -2.656 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.988 -4.743 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.851 -5.632 3.436 1.00 0.00 H new ATOM 1073 N SER A 69 13.234 -4.976 4.148 1.00 0.00 N ATOM 1074 CA SER A 69 12.620 -6.215 4.609 1.00 0.00 C ATOM 1075 C SER A 69 11.959 -6.895 3.439 1.00 0.00 C ATOM 1076 O SER A 69 11.811 -6.237 2.421 1.00 0.00 O ATOM 1077 CB SER A 69 11.526 -5.880 5.654 1.00 0.00 C ATOM 1078 OG SER A 69 12.054 -5.141 6.767 1.00 0.00 O ATOM 0 H SER A 69 12.903 -4.641 3.243 1.00 0.00 H new ATOM 0 HA SER A 69 13.380 -6.861 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.734 -5.302 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.073 -6.804 6.014 1.00 0.00 H new ATOM 0 HG SER A 69 13.026 -5.258 6.805 1.00 0.00 H new ATOM 1084 N ASN A 70 11.544 -8.176 3.551 1.00 0.00 N ATOM 1085 CA ASN A 70 10.739 -8.750 2.479 1.00 0.00 C ATOM 1086 C ASN A 70 9.354 -8.151 2.616 1.00 0.00 C ATOM 1087 O ASN A 70 8.928 -7.992 3.749 1.00 0.00 O ATOM 1088 CB ASN A 70 10.645 -10.289 2.521 1.00 0.00 C ATOM 1089 CG ASN A 70 11.997 -10.926 2.304 1.00 0.00 C ATOM 1090 OD1 ASN A 70 12.669 -11.232 3.277 1.00 0.00 O ATOM 1091 ND2 ASN A 70 12.423 -11.134 1.038 1.00 0.00 N ATOM 0 H ASN A 70 11.746 -8.796 4.335 1.00 0.00 H new ATOM 0 HA ASN A 70 11.212 -8.516 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.242 -10.605 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.950 -10.634 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.334 -11.560 0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.833 -10.865 0.251 1.00 0.00 H new ATOM 1098 N ILE A 71 8.650 -7.805 1.510 1.00 0.00 N ATOM 1099 CA ILE A 71 7.331 -7.171 1.604 1.00 0.00 C ATOM 1100 C ILE A 71 6.418 -7.829 0.589 1.00 0.00 C ATOM 1101 O ILE A 71 6.892 -8.133 -0.494 1.00 0.00 O ATOM 1102 CB ILE A 71 7.481 -5.636 1.392 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.499 -5.066 2.423 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.109 -4.920 1.502 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.671 -3.526 2.380 1.00 0.00 C ATOM 0 H ILE A 71 8.978 -7.956 0.556 1.00 0.00 H new ATOM 0 HA ILE A 71 6.885 -7.306 2.590 1.00 0.00 H new ATOM 0 HB ILE A 71 7.859 -5.453 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.181 -5.355 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.469 -5.531 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.244 -3.849 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.432 -5.312 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.685 -5.095 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.398 -3.220 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.022 -3.227 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.714 -3.047 2.585 1.00 0.00 H new ATOM 1117 N GLN A 72 5.128 -8.081 0.921 1.00 0.00 N ATOM 1118 CA GLN A 72 4.291 -8.937 0.072 1.00 0.00 C ATOM 1119 C GLN A 72 3.863 -8.220 -1.186 1.00 0.00 C ATOM 1120 O GLN A 72 3.840 -8.845 -2.234 1.00 0.00 O ATOM 1121 CB GLN A 72 3.027 -9.434 0.822 1.00 0.00 C ATOM 1122 CG GLN A 72 3.392 -10.349 2.021 1.00 0.00 C ATOM 1123 CD GLN A 72 4.024 -11.641 1.559 1.00 0.00 C ATOM 1124 OE1 GLN A 72 5.220 -11.815 1.735 1.00 0.00 O ATOM 1125 NE2 GLN A 72 3.242 -12.566 0.959 1.00 0.00 N ATOM 0 H GLN A 72 4.662 -7.711 1.750 1.00 0.00 H new ATOM 0 HA GLN A 72 4.906 -9.797 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.456 -8.577 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.385 -9.980 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.079 -9.824 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.494 -10.568 2.599 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.247 -12.385 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.647 -13.445 0.636 1.00 0.00 H new ATOM 1134 N THR A 73 3.524 -6.917 -1.076 1.00 0.00 N ATOM 1135 CA THR A 73 3.279 -6.079 -2.254 1.00 0.00 C ATOM 1136 C THR A 73 2.027 -6.440 -3.018 1.00 0.00 C ATOM 1137 O THR A 73 1.507 -7.530 -2.841 1.00 0.00 O ATOM 1138 CB THR A 73 4.517 -5.988 -3.199 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.023 -7.254 -3.653 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.682 -5.298 -2.462 1.00 0.00 C ATOM 0 H THR A 73 3.416 -6.431 -0.186 1.00 0.00 H new ATOM 0 HA THR A 73 3.105 -5.083 -1.846 1.00 0.00 H new ATOM 0 HB THR A 73 4.162 -5.432 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.316 -7.930 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.546 -5.236 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.380 -4.294 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.945 -5.876 -1.576 1.00 0.00 H new ATOM 1148 N MET A 74 1.550 -5.503 -3.880 1.00 0.00 N ATOM 1149 CA MET A 74 0.380 -5.755 -4.725 1.00 0.00 C ATOM 1150 C MET A 74 0.825 -6.109 -6.130 1.00 0.00 C ATOM 1151 O MET A 74 0.063 -5.885 -7.058 1.00 0.00 O ATOM 1152 CB MET A 74 -0.549 -4.504 -4.741 1.00 0.00 C ATOM 1153 CG MET A 74 -1.001 -4.028 -3.329 1.00 0.00 C ATOM 1154 SD MET A 74 -2.586 -4.751 -2.770 1.00 0.00 S ATOM 1155 CE MET A 74 -2.189 -6.489 -2.418 1.00 0.00 C ATOM 0 H MET A 74 1.962 -4.578 -3.999 1.00 0.00 H new ATOM 0 HA MET A 74 -0.182 -6.595 -4.317 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.029 -3.686 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.434 -4.729 -5.337 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.224 -4.279 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.091 -2.942 -3.335 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.710 -6.806 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.504 -7.111 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.114 -6.594 -2.272 1.00 0.00 H new ATOM 1165 N GLY A 75 2.044 -6.671 -6.312 1.00 0.00 N ATOM 1166 CA GLY A 75 2.483 -7.116 -7.626 1.00 0.00 C ATOM 1167 C GLY A 75 2.153 -8.582 -7.741 1.00 0.00 C ATOM 1168 O GLY A 75 1.215 -9.028 -7.098 1.00 0.00 O ATOM 0 H GLY A 75 2.723 -6.819 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.983 -6.548 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.554 -6.953 -7.748 1.00 0.00 H new ATOM 1172 N GLY A 76 2.910 -9.345 -8.558 1.00 0.00 N ATOM 1173 CA GLY A 76 2.657 -10.779 -8.657 1.00 0.00 C ATOM 1174 C GLY A 76 3.173 -11.507 -7.438 1.00 0.00 C ATOM 1175 O GLY A 76 2.557 -12.486 -7.046 1.00 0.00 O ATOM 0 H GLY A 76 3.675 -8.997 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.587 -10.956 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.137 -11.175 -9.552 1.00 0.00 H new ATOM 1179 N LYS A 77 4.314 -11.067 -6.853 1.00 0.00 N ATOM 1180 CA LYS A 77 4.974 -11.844 -5.804 1.00 0.00 C ATOM 1181 C LYS A 77 5.626 -10.967 -4.754 1.00 0.00 C ATOM 1182 O LYS A 77 5.684 -9.760 -4.919 1.00 0.00 O ATOM 1183 CB LYS A 77 6.064 -12.713 -6.496 1.00 0.00 C ATOM 1184 CG LYS A 77 5.453 -13.923 -7.256 1.00 0.00 C ATOM 1185 CD LYS A 77 6.526 -14.905 -7.808 1.00 0.00 C ATOM 1186 CE LYS A 77 7.530 -14.276 -8.817 1.00 0.00 C ATOM 1187 NZ LYS A 77 6.872 -13.649 -9.987 1.00 0.00 N ATOM 0 H LYS A 77 4.781 -10.192 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 77 4.228 -12.450 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.630 -12.096 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.768 -13.074 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.785 -14.464 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.846 -13.555 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.086 -15.317 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.019 -15.739 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.130 -13.526 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.216 -15.048 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.595 -13.250 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.321 -14.366 -10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.238 -12.891 -9.664 1.00 0.00 H new ATOM 1201 N THR A 78 6.127 -11.593 -3.662 1.00 0.00 N ATOM 1202 CA THR A 78 6.858 -10.854 -2.633 1.00 0.00 C ATOM 1203 C THR A 78 8.161 -10.335 -3.199 1.00 0.00 C ATOM 1204 O THR A 78 8.763 -11.059 -3.975 1.00 0.00 O ATOM 1205 CB THR A 78 7.179 -11.824 -1.458 1.00 0.00 C ATOM 1206 OG1 THR A 78 5.935 -12.398 -1.018 1.00 0.00 O ATOM 1207 CG2 THR A 78 7.921 -11.165 -0.266 1.00 0.00 C ATOM 0 H THR A 78 6.035 -12.593 -3.482 1.00 0.00 H new ATOM 0 HA THR A 78 6.252 -10.016 -2.288 1.00 0.00 H new ATOM 0 HB THR A 78 7.870 -12.581 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.843 -12.276 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.104 -11.912 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.872 -10.758 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.309 -10.362 0.144 1.00 0.00 H new ATOM 1215 N PHE A 79 8.613 -9.118 -2.807 1.00 0.00 N ATOM 1216 CA PHE A 79 9.948 -8.637 -3.181 1.00 0.00 C ATOM 1217 C PHE A 79 10.642 -8.189 -1.915 1.00 0.00 C ATOM 1218 O PHE A 79 10.011 -8.228 -0.873 1.00 0.00 O ATOM 1219 CB PHE A 79 9.878 -7.422 -4.148 1.00 0.00 C ATOM 1220 CG PHE A 79 8.768 -7.562 -5.194 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.673 -8.721 -5.971 1.00 0.00 C ATOM 1222 CD2 PHE A 79 7.844 -6.529 -5.391 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.593 -8.893 -6.840 1.00 0.00 C ATOM 1224 CE2 PHE A 79 6.734 -6.716 -6.216 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.607 -7.907 -6.932 1.00 0.00 C ATOM 0 H PHE A 79 8.073 -8.465 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 79 10.480 -9.443 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.715 -6.512 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.837 -7.310 -4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.435 -9.483 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.992 -5.578 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.520 -9.788 -7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.981 -5.947 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.743 -8.067 -7.560 1.00 0.00 H new ATOM 1235 N LYS A 80 11.914 -7.737 -1.995 1.00 0.00 N ATOM 1236 CA LYS A 80 12.572 -7.113 -0.846 1.00 0.00 C ATOM 1237 C LYS A 80 12.845 -5.679 -1.239 1.00 0.00 C ATOM 1238 O LYS A 80 13.161 -5.462 -2.397 1.00 0.00 O ATOM 1239 CB LYS A 80 13.832 -7.929 -0.464 1.00 0.00 C ATOM 1240 CG LYS A 80 14.531 -7.425 0.826 1.00 0.00 C ATOM 1241 CD LYS A 80 15.932 -8.061 1.070 1.00 0.00 C ATOM 1242 CE LYS A 80 15.923 -9.602 1.300 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.154 -10.396 0.068 1.00 0.00 N ATOM 0 H LYS A 80 12.491 -7.795 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 80 11.958 -7.108 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.551 -8.974 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.542 -7.893 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.639 -6.342 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.891 -7.638 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.569 -7.840 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.386 -7.582 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.690 -9.854 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.964 -9.889 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.134 -11.410 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.409 -10.185 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.081 -10.151 -0.334 1.00 0.00 H new ATOM 1257 N ALA A 81 12.697 -4.693 -0.322 1.00 0.00 N ATOM 1258 CA ALA A 81 12.732 -3.289 -0.732 1.00 0.00 C ATOM 1259 C ALA A 81 13.159 -2.416 0.416 1.00 0.00 C ATOM 1260 O ALA A 81 12.885 -2.804 1.540 1.00 0.00 O ATOM 1261 CB ALA A 81 11.295 -2.885 -1.107 1.00 0.00 C ATOM 0 H ALA A 81 12.557 -4.847 0.676 1.00 0.00 H new ATOM 0 HA ALA A 81 13.430 -3.168 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.280 -1.841 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.942 -3.513 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.643 -3.015 -0.243 1.00 0.00 H new ATOM 1267 N THR A 82 13.812 -1.258 0.160 1.00 0.00 N ATOM 1268 CA THR A 82 14.307 -0.449 1.269 1.00 0.00 C ATOM 1269 C THR A 82 13.265 0.577 1.631 1.00 0.00 C ATOM 1270 O THR A 82 13.157 1.567 0.924 1.00 0.00 O ATOM 1271 CB THR A 82 15.688 0.182 0.948 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.548 -0.878 0.492 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.296 0.857 2.209 1.00 0.00 C ATOM 0 H THR A 82 13.997 -0.884 -0.771 1.00 0.00 H new ATOM 0 HA THR A 82 14.475 -1.086 2.137 1.00 0.00 H new ATOM 0 HB THR A 82 15.580 0.953 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.432 -0.513 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.264 1.292 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.626 1.641 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.426 0.112 2.994 1.00 0.00 H new ATOM 1281 N VAL A 83 12.497 0.366 2.728 1.00 0.00 N ATOM 1282 CA VAL A 83 11.551 1.390 3.153 1.00 0.00 C ATOM 1283 C VAL A 83 12.376 2.469 3.809 1.00 0.00 C ATOM 1284 O VAL A 83 13.368 2.137 4.437 1.00 0.00 O ATOM 1285 CB VAL A 83 10.441 0.865 4.109 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.483 1.998 4.581 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.622 -0.247 3.399 1.00 0.00 C ATOM 0 H VAL A 83 12.520 -0.474 3.306 1.00 0.00 H new ATOM 0 HA VAL A 83 11.000 1.760 2.288 1.00 0.00 H new ATOM 0 HB VAL A 83 10.935 0.463 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.726 1.581 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.054 2.759 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.997 2.448 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.846 -0.612 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.161 0.159 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.284 -1.070 3.128 1.00 0.00 H new ATOM 1297 N GLN A 84 11.986 3.754 3.671 1.00 0.00 N ATOM 1298 CA GLN A 84 12.663 4.835 4.378 1.00 0.00 C ATOM 1299 C GLN A 84 11.601 5.808 4.826 1.00 0.00 C ATOM 1300 O GLN A 84 10.445 5.616 4.488 1.00 0.00 O ATOM 1301 CB GLN A 84 13.753 5.513 3.501 1.00 0.00 C ATOM 1302 CG GLN A 84 14.724 4.471 2.895 1.00 0.00 C ATOM 1303 CD GLN A 84 15.758 5.134 2.018 1.00 0.00 C ATOM 1304 OE1 GLN A 84 16.907 5.230 2.420 1.00 0.00 O ATOM 1305 NE2 GLN A 84 15.373 5.604 0.809 1.00 0.00 N ATOM 0 H GLN A 84 11.212 4.055 3.079 1.00 0.00 H new ATOM 0 HA GLN A 84 13.200 4.444 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.277 6.077 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.314 6.227 4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.220 3.923 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.162 3.742 2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.403 5.505 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.052 6.057 0.198 1.00 0.00 H new ATOM 1314 N MET A 85 11.997 6.845 5.588 1.00 0.00 N ATOM 1315 CA MET A 85 11.053 7.833 6.108 1.00 0.00 C ATOM 1316 C MET A 85 11.595 9.194 5.752 1.00 0.00 C ATOM 1317 O MET A 85 12.719 9.284 5.283 1.00 0.00 O ATOM 1318 CB MET A 85 10.885 7.763 7.656 1.00 0.00 C ATOM 1319 CG MET A 85 9.556 7.072 8.061 1.00 0.00 C ATOM 1320 SD MET A 85 9.074 7.503 9.761 1.00 0.00 S ATOM 1321 CE MET A 85 8.052 8.962 9.364 1.00 0.00 C ATOM 0 H MET A 85 12.967 7.014 5.853 1.00 0.00 H new ATOM 0 HA MET A 85 10.075 7.634 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.724 7.218 8.088 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.912 8.771 8.070 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.766 7.368 7.371 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.666 5.991 7.975 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.652 9.387 10.284 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.664 9.708 8.856 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.229 8.664 8.714 1.00 0.00 H new ATOM 1331 N GLU A 86 10.795 10.253 6.010 1.00 0.00 N ATOM 1332 CA GLU A 86 11.311 11.621 5.883 1.00 0.00 C ATOM 1333 C GLU A 86 10.900 12.424 7.101 1.00 0.00 C ATOM 1334 O GLU A 86 11.763 12.838 7.859 1.00 0.00 O ATOM 1335 CB GLU A 86 10.877 12.296 4.554 1.00 0.00 C ATOM 1336 CG GLU A 86 11.394 11.514 3.320 1.00 0.00 C ATOM 1337 CD GLU A 86 10.928 12.143 2.031 1.00 0.00 C ATOM 1338 OE1 GLU A 86 11.130 13.376 1.863 1.00 0.00 O ATOM 1339 OE2 GLU A 86 10.358 11.414 1.173 1.00 0.00 O ATOM 0 H GLU A 86 9.819 10.185 6.299 1.00 0.00 H new ATOM 0 HA GLU A 86 12.400 11.582 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.789 12.359 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.257 13.317 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.483 11.483 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.045 10.483 3.369 1.00 0.00 H new ATOM 1346 N GLY A 87 9.585 12.649 7.317 1.00 0.00 N ATOM 1347 CA GLY A 87 9.140 13.383 8.500 1.00 0.00 C ATOM 1348 C GLY A 87 7.675 13.099 8.735 1.00 0.00 C ATOM 1349 O GLY A 87 7.360 12.328 9.628 1.00 0.00 O ATOM 0 H GLY A 87 8.836 12.337 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.725 13.085 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.298 14.452 8.361 1.00 0.00 H new ATOM 1353 N GLY A 88 6.780 13.695 7.909 1.00 0.00 N ATOM 1354 CA GLY A 88 5.357 13.367 7.975 1.00 0.00 C ATOM 1355 C GLY A 88 4.991 12.504 6.791 1.00 0.00 C ATOM 1356 O GLY A 88 3.909 12.678 6.250 1.00 0.00 O ATOM 0 H GLY A 88 7.024 14.392 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.135 12.843 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.761 14.279 7.973 1.00 0.00 H new ATOM 1360 N LYS A 89 5.875 11.562 6.382 1.00 0.00 N ATOM 1361 CA LYS A 89 5.581 10.720 5.227 1.00 0.00 C ATOM 1362 C LYS A 89 6.499 9.522 5.211 1.00 0.00 C ATOM 1363 O LYS A 89 7.347 9.416 6.083 1.00 0.00 O ATOM 1364 CB LYS A 89 5.616 11.510 3.885 1.00 0.00 C ATOM 1365 CG LYS A 89 7.060 11.815 3.405 1.00 0.00 C ATOM 1366 CD LYS A 89 7.114 12.371 1.953 1.00 0.00 C ATOM 1367 CE LYS A 89 6.845 11.297 0.858 1.00 0.00 C ATOM 1368 NZ LYS A 89 7.096 11.842 -0.497 1.00 0.00 N ATOM 0 H LYS A 89 6.773 11.378 6.830 1.00 0.00 H new ATOM 0 HA LYS A 89 4.556 10.362 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.096 10.937 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.072 12.447 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.517 12.537 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.656 10.904 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.380 13.170 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.094 12.815 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.484 10.431 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.814 10.951 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.909 11.106 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.468 12.654 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.087 12.149 -0.569 1.00 0.00 H new ATOM 1382 N LEU A 90 6.317 8.618 4.225 1.00 0.00 N ATOM 1383 CA LEU A 90 7.031 7.350 4.214 1.00 0.00 C ATOM 1384 C LEU A 90 7.490 7.052 2.808 1.00 0.00 C ATOM 1385 O LEU A 90 6.942 7.649 1.895 1.00 0.00 O ATOM 1386 CB LEU A 90 5.989 6.356 4.750 1.00 0.00 C ATOM 1387 CG LEU A 90 6.514 4.942 5.085 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.528 4.982 6.255 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.309 4.086 5.520 1.00 0.00 C ATOM 0 H LEU A 90 5.684 8.753 3.437 1.00 0.00 H new ATOM 0 HA LEU A 90 7.938 7.322 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.541 6.779 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.193 6.261 4.012 1.00 0.00 H new ATOM 0 HG LEU A 90 7.013 4.530 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.879 3.972 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.375 5.611 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.044 5.391 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.647 3.079 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.842 4.534 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.584 4.038 4.707 1.00 0.00 H new ATOM 1401 N VAL A 91 8.495 6.164 2.623 1.00 0.00 N ATOM 1402 CA VAL A 91 9.094 5.980 1.305 1.00 0.00 C ATOM 1403 C VAL A 91 9.411 4.528 1.069 1.00 0.00 C ATOM 1404 O VAL A 91 9.797 3.891 2.031 1.00 0.00 O ATOM 1405 CB VAL A 91 10.425 6.778 1.243 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.067 6.739 -0.171 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.257 8.241 1.733 1.00 0.00 C ATOM 0 H VAL A 91 8.893 5.581 3.360 1.00 0.00 H new ATOM 0 HA VAL A 91 8.390 6.328 0.549 1.00 0.00 H new ATOM 0 HB VAL A 91 11.108 6.278 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.995 7.311 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.279 5.706 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.378 7.173 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.215 8.758 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.527 8.753 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.911 8.241 2.767 1.00 0.00 H new ATOM 1417 N VAL A 92 9.297 3.993 -0.167 1.00 0.00 N ATOM 1418 CA VAL A 92 9.803 2.654 -0.441 1.00 0.00 C ATOM 1419 C VAL A 92 10.113 2.504 -1.911 1.00 0.00 C ATOM 1420 O VAL A 92 9.564 3.242 -2.715 1.00 0.00 O ATOM 1421 CB VAL A 92 8.802 1.580 0.069 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.449 1.697 -0.663 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.333 0.126 -0.078 1.00 0.00 C ATOM 0 H VAL A 92 8.868 4.463 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 92 10.736 2.502 0.102 1.00 0.00 H new ATOM 0 HB VAL A 92 8.673 1.780 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.766 0.935 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.023 2.685 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.601 1.554 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.586 -0.574 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.532 -0.084 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.253 0.015 0.495 1.00 0.00 H new ATOM 1433 N ASN A 93 11.007 1.552 -2.257 1.00 0.00 N ATOM 1434 CA ASN A 93 11.395 1.340 -3.645 1.00 0.00 C ATOM 1435 C ASN A 93 11.727 -0.130 -3.794 1.00 0.00 C ATOM 1436 O ASN A 93 12.634 -0.579 -3.110 1.00 0.00 O ATOM 1437 CB ASN A 93 12.592 2.257 -3.996 1.00 0.00 C ATOM 1438 CG ASN A 93 13.699 2.138 -2.973 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.652 1.415 -3.216 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.599 2.832 -1.817 1.00 0.00 N ATOM 0 H ASN A 93 11.463 0.929 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 93 10.594 1.597 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.976 1.994 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.255 3.292 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.335 2.761 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.788 3.427 -1.648 1.00 0.00 H new ATOM 1447 N PHE A 94 10.993 -0.879 -4.654 1.00 0.00 N ATOM 1448 CA PHE A 94 11.192 -2.323 -4.787 1.00 0.00 C ATOM 1449 C PHE A 94 11.860 -2.537 -6.129 1.00 0.00 C ATOM 1450 O PHE A 94 11.698 -1.648 -6.950 1.00 0.00 O ATOM 1451 CB PHE A 94 9.816 -3.061 -4.835 1.00 0.00 C ATOM 1452 CG PHE A 94 8.777 -2.635 -3.784 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.020 -1.464 -3.932 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.544 -3.435 -2.662 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.156 -1.037 -2.920 1.00 0.00 C ATOM 1456 CE2 PHE A 94 7.739 -2.972 -1.622 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.050 -1.768 -1.736 1.00 0.00 C ATOM 0 H PHE A 94 10.264 -0.499 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 94 11.776 -2.701 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.383 -2.913 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.997 -4.130 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.106 -0.885 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.990 -4.417 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.570 -0.140 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.649 -3.555 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.442 -1.405 -0.920 1.00 0.00 H new ATOM 1467 N PRO A 95 12.577 -3.645 -6.448 1.00 0.00 N ATOM 1468 CA PRO A 95 13.041 -3.841 -7.820 1.00 0.00 C ATOM 1469 C PRO A 95 11.857 -4.259 -8.669 1.00 0.00 C ATOM 1470 O PRO A 95 11.818 -5.389 -9.127 1.00 0.00 O ATOM 1471 CB PRO A 95 14.075 -4.970 -7.575 1.00 0.00 C ATOM 1472 CG PRO A 95 13.467 -5.769 -6.400 1.00 0.00 C ATOM 1473 CD PRO A 95 12.928 -4.661 -5.465 1.00 0.00 C ATOM 0 HA PRO A 95 13.465 -2.986 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.205 -5.594 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.056 -4.568 -7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.673 -6.436 -6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.215 -6.387 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.068 -4.990 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.679 -4.313 -4.756 1.00 0.00 H new ATOM 1481 N ASN A 96 10.881 -3.342 -8.874 1.00 0.00 N ATOM 1482 CA ASN A 96 9.607 -3.689 -9.513 1.00 0.00 C ATOM 1483 C ASN A 96 8.773 -2.432 -9.717 1.00 0.00 C ATOM 1484 O ASN A 96 8.353 -2.183 -10.834 1.00 0.00 O ATOM 1485 CB ASN A 96 8.776 -4.689 -8.656 1.00 0.00 C ATOM 1486 CG ASN A 96 9.310 -6.101 -8.656 1.00 0.00 C ATOM 1487 OD1 ASN A 96 9.849 -6.534 -7.649 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.180 -6.846 -9.776 1.00 0.00 N ATOM 0 H ASN A 96 10.960 -2.362 -8.604 1.00 0.00 H new ATOM 0 HA ASN A 96 9.846 -4.159 -10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.741 -4.327 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.751 -4.701 -9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.538 -7.801 -9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.724 -6.453 -10.600 1.00 0.00 H new ATOM 1495 N TYR A 97 8.531 -1.640 -8.644 1.00 0.00 N ATOM 1496 CA TYR A 97 7.745 -0.406 -8.718 1.00 0.00 C ATOM 1497 C TYR A 97 8.253 0.518 -7.622 1.00 0.00 C ATOM 1498 O TYR A 97 9.203 0.138 -6.956 1.00 0.00 O ATOM 1499 CB TYR A 97 6.240 -0.765 -8.573 1.00 0.00 C ATOM 1500 CG TYR A 97 5.807 -1.102 -7.141 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.102 -2.359 -6.611 1.00 0.00 C ATOM 1502 CD2 TYR A 97 5.092 -0.190 -6.357 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.639 -2.716 -5.344 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.529 -0.590 -5.140 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.815 -1.855 -4.617 1.00 0.00 C ATOM 1506 OH TYR A 97 4.298 -2.273 -3.387 1.00 0.00 O ATOM 0 H TYR A 97 8.880 -1.848 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 97 7.853 0.109 -9.673 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.642 0.072 -8.933 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.018 -1.616 -9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.692 -3.059 -7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.974 0.829 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.921 -3.669 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.873 0.079 -4.604 1.00 0.00 H new ATOM 0 HH TYR A 97 4.978 -2.158 -2.690 1.00 0.00 H new ATOM 1516 N HIS A 98 7.656 1.713 -7.410 1.00 0.00 N ATOM 1517 CA HIS A 98 8.064 2.605 -6.321 1.00 0.00 C ATOM 1518 C HIS A 98 6.819 3.089 -5.630 1.00 0.00 C ATOM 1519 O HIS A 98 5.789 3.136 -6.282 1.00 0.00 O ATOM 1520 CB HIS A 98 8.857 3.827 -6.856 1.00 0.00 C ATOM 1521 CG HIS A 98 8.859 5.017 -5.917 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.826 5.775 -5.611 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.941 5.475 -5.262 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.185 6.705 -4.785 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.405 6.590 -4.534 1.00 0.00 N ATOM 0 H HIS A 98 6.892 2.074 -7.982 1.00 0.00 H new ATOM 0 HA HIS A 98 8.713 2.059 -5.636 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.887 3.525 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.433 4.132 -7.813 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.954 5.100 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.533 7.462 -4.376 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.937 7.195 -3.909 1.00 0.00 H new ATOM 1533 N GLN A 99 6.888 3.469 -4.332 1.00 0.00 N ATOM 1534 CA GLN A 99 5.683 3.934 -3.649 1.00 0.00 C ATOM 1535 C GLN A 99 6.068 4.804 -2.472 1.00 0.00 C ATOM 1536 O GLN A 99 7.154 4.619 -1.949 1.00 0.00 O ATOM 1537 CB GLN A 99 4.857 2.668 -3.300 1.00 0.00 C ATOM 1538 CG GLN A 99 3.498 2.905 -2.594 1.00 0.00 C ATOM 1539 CD GLN A 99 3.676 3.131 -1.111 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.443 4.232 -0.639 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.087 2.089 -0.353 1.00 0.00 N ATOM 0 H GLN A 99 7.736 3.461 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 99 5.054 4.577 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.672 2.116 -4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.466 2.028 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.002 3.768 -3.038 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.848 2.046 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.271 1.184 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.213 2.208 0.652 1.00 0.00 H new ATOM 1550 N THR A 100 5.207 5.764 -2.063 1.00 0.00 N ATOM 1551 CA THR A 100 5.517 6.657 -0.943 1.00 0.00 C ATOM 1552 C THR A 100 4.207 6.874 -0.217 1.00 0.00 C ATOM 1553 O THR A 100 3.290 7.326 -0.882 1.00 0.00 O ATOM 1554 CB THR A 100 6.067 8.010 -1.487 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.446 8.256 -2.757 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.613 8.018 -1.653 1.00 0.00 C ATOM 0 H THR A 100 4.299 5.933 -2.495 1.00 0.00 H new ATOM 0 HA THR A 100 6.274 6.237 -0.281 1.00 0.00 H new ATOM 0 HB THR A 100 5.832 8.790 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.773 9.104 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.933 8.987 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.084 7.835 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.908 7.237 -2.354 1.00 0.00 H new ATOM 1564 N SER A 101 4.070 6.556 1.096 1.00 0.00 N ATOM 1565 CA SER A 101 2.794 6.776 1.780 1.00 0.00 C ATOM 1566 C SER A 101 2.841 8.105 2.490 1.00 0.00 C ATOM 1567 O SER A 101 3.933 8.624 2.654 1.00 0.00 O ATOM 1568 CB SER A 101 2.401 5.627 2.739 1.00 0.00 C ATOM 1569 OG SER A 101 2.329 4.370 2.051 1.00 0.00 O ATOM 0 H SER A 101 4.809 6.159 1.677 1.00 0.00 H new ATOM 0 HA SER A 101 2.008 6.790 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.130 5.560 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.437 5.848 3.198 1.00 0.00 H new ATOM 0 HG SER A 101 2.734 4.459 1.163 1.00 0.00 H new ATOM 1575 N GLU A 102 1.681 8.679 2.894 1.00 0.00 N ATOM 1576 CA GLU A 102 1.680 10.050 3.406 1.00 0.00 C ATOM 1577 C GLU A 102 0.454 10.266 4.278 1.00 0.00 C ATOM 1578 O GLU A 102 -0.617 10.502 3.742 1.00 0.00 O ATOM 1579 CB GLU A 102 1.772 10.957 2.144 1.00 0.00 C ATOM 1580 CG GLU A 102 1.950 12.463 2.464 1.00 0.00 C ATOM 1581 CD GLU A 102 0.712 13.067 3.064 1.00 0.00 C ATOM 1582 OE1 GLU A 102 -0.360 12.993 2.403 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.807 13.626 4.189 1.00 0.00 O ATOM 0 H GLU A 102 0.769 8.223 2.873 1.00 0.00 H new ATOM 0 HA GLU A 102 2.517 10.288 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.609 10.625 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.869 10.827 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.785 12.590 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.207 12.999 1.550 1.00 0.00 H new ATOM 1590 N ILE A 103 0.576 10.174 5.626 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.589 10.343 6.507 1.00 0.00 C ATOM 1592 C ILE A 103 -1.013 11.793 6.555 1.00 0.00 C ATOM 1593 O ILE A 103 -0.151 12.647 6.431 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.297 9.800 7.944 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.318 8.244 7.949 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.192 10.408 9.063 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.689 7.614 8.297 1.00 0.00 C ATOM 0 H ILE A 103 1.453 9.987 6.111 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.411 9.758 6.093 1.00 0.00 H new ATOM 0 HB ILE A 103 0.707 10.139 8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.009 7.887 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.422 7.887 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.918 9.973 10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.047 11.488 9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.239 10.190 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.606 6.527 8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.995 7.935 9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.433 7.935 7.568 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.328 12.075 6.746 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.811 13.455 6.835 1.00 0.00 C ATOM 1611 C VAL A 104 -3.751 13.534 8.022 1.00 0.00 C ATOM 1612 O VAL A 104 -4.957 13.499 7.834 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.498 13.888 5.503 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.936 15.380 5.548 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.563 13.651 4.290 1.00 0.00 C ATOM 0 H VAL A 104 -3.056 11.366 6.839 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.984 14.149 6.984 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.388 13.270 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.411 15.648 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.643 15.527 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.062 16.011 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.068 13.962 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.650 14.232 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.313 12.592 4.225 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.212 13.642 9.259 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.067 13.777 10.437 1.00 0.00 C ATOM 1627 C GLY A 105 -4.838 12.502 10.687 1.00 0.00 C ATOM 1628 O GLY A 105 -4.399 11.698 11.494 1.00 0.00 O ATOM 0 H GLY A 105 -2.211 13.638 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.458 14.016 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.761 14.606 10.296 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.985 12.313 9.994 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.818 11.128 10.201 1.00 0.00 C ATOM 1634 C ASP A 106 -7.192 10.598 8.838 1.00 0.00 C ATOM 1635 O ASP A 106 -8.362 10.533 8.495 1.00 0.00 O ATOM 1636 CB ASP A 106 -8.045 11.521 11.061 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.566 12.040 12.392 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.335 13.274 12.506 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.412 11.216 13.334 1.00 0.00 O ATOM 0 H ASP A 106 -6.343 12.964 9.296 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.297 10.339 10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.634 12.282 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.695 10.658 11.205 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.159 10.220 8.053 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.384 9.726 6.696 1.00 0.00 C ATOM 1646 C LYS A 107 -5.075 9.147 6.213 1.00 0.00 C ATOM 1647 O LYS A 107 -4.060 9.775 6.470 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.772 10.921 5.784 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.069 10.506 4.316 1.00 0.00 C ATOM 1650 CD LYS A 107 -7.000 11.699 3.322 1.00 0.00 C ATOM 1651 CE LYS A 107 -8.014 12.829 3.649 1.00 0.00 C ATOM 1652 NZ LYS A 107 -7.994 13.883 2.608 1.00 0.00 N ATOM 0 H LYS A 107 -5.180 10.250 8.338 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.178 8.980 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.651 11.415 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.963 11.651 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.355 9.742 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.060 10.055 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.991 12.112 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.187 11.333 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.017 12.410 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.775 13.267 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.681 14.625 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.042 14.297 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.245 13.467 1.688 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.074 7.985 5.525 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.840 7.435 4.973 1.00 0.00 C ATOM 1668 C LEU A 108 -3.993 7.585 3.483 1.00 0.00 C ATOM 1669 O LEU A 108 -5.021 7.153 2.989 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.680 5.943 5.385 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.687 5.138 4.499 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.219 5.559 4.778 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.859 3.613 4.737 1.00 0.00 C ATOM 0 H LEU A 108 -5.907 7.424 5.346 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.949 7.944 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.343 5.898 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.657 5.461 5.346 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.914 5.361 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.548 4.980 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.097 6.620 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.980 5.373 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.156 3.065 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.664 3.384 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.877 3.318 4.485 1.00 0.00 H new ATOM 1685 N VAL A 109 -3.008 8.165 2.756 1.00 0.00 N ATOM 1686 CA VAL A 109 -3.072 8.162 1.297 1.00 0.00 C ATOM 1687 C VAL A 109 -1.794 7.526 0.820 1.00 0.00 C ATOM 1688 O VAL A 109 -0.838 7.511 1.580 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.315 9.579 0.696 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.295 10.382 1.590 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.005 10.372 0.470 1.00 0.00 C ATOM 0 H VAL A 109 -2.188 8.625 3.152 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.933 7.591 0.951 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.761 9.433 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.455 11.370 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.247 9.854 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.873 10.487 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.240 11.350 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.488 10.500 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.363 9.825 -0.221 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.768 7.005 -0.427 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.550 6.382 -0.940 1.00 0.00 C ATOM 1703 C GLU A 110 -0.439 6.698 -2.408 1.00 0.00 C ATOM 1704 O GLU A 110 -1.445 7.085 -2.979 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.453 4.852 -0.679 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.858 4.473 0.770 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.675 2.996 1.018 1.00 0.00 C ATOM 1708 OE1 GLU A 110 0.488 2.518 0.925 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.685 2.299 1.310 1.00 0.00 O ATOM 0 H GLU A 110 -2.557 7.007 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 110 0.292 6.802 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.096 4.324 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.567 4.518 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.256 5.041 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.898 4.748 0.943 1.00 0.00 H new ATOM 1716 N VAL A 111 0.761 6.560 -3.014 1.00 0.00 N ATOM 1717 CA VAL A 111 0.942 6.962 -4.407 1.00 0.00 C ATOM 1718 C VAL A 111 1.969 6.018 -5.009 1.00 0.00 C ATOM 1719 O VAL A 111 3.139 6.146 -4.691 1.00 0.00 O ATOM 1720 CB VAL A 111 1.223 8.495 -4.441 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.349 8.949 -3.485 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.528 8.955 -5.884 1.00 0.00 C ATOM 0 H VAL A 111 1.595 6.181 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 111 0.066 6.858 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 111 0.312 8.974 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.484 10.028 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.081 8.694 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.278 8.446 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.722 10.028 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.405 8.425 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.673 8.737 -6.524 1.00 0.00 H new ATOM 1732 N SER A 112 1.546 5.037 -5.849 1.00 0.00 N ATOM 1733 CA SER A 112 2.457 3.991 -6.326 1.00 0.00 C ATOM 1734 C SER A 112 3.043 4.442 -7.638 1.00 0.00 C ATOM 1735 O SER A 112 2.589 5.458 -8.131 1.00 0.00 O ATOM 1736 CB SER A 112 1.699 2.649 -6.456 1.00 0.00 C ATOM 1737 OG SER A 112 2.624 1.558 -6.385 1.00 0.00 O ATOM 0 H SER A 112 0.591 4.958 -6.200 1.00 0.00 H new ATOM 0 HA SER A 112 3.269 3.828 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.958 2.561 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.158 2.617 -7.401 1.00 0.00 H new ATOM 0 HG SER A 112 2.364 0.866 -7.029 1.00 0.00 H new ATOM 1743 N THR A 113 4.038 3.746 -8.227 1.00 0.00 N ATOM 1744 CA THR A 113 4.718 4.303 -9.398 1.00 0.00 C ATOM 1745 C THR A 113 5.523 3.254 -10.113 1.00 0.00 C ATOM 1746 O THR A 113 5.979 2.353 -9.434 1.00 0.00 O ATOM 1747 CB THR A 113 5.689 5.401 -8.887 1.00 0.00 C ATOM 1748 OG1 THR A 113 4.977 6.558 -8.418 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.781 5.801 -9.907 1.00 0.00 C ATOM 0 H THR A 113 4.373 2.833 -7.921 1.00 0.00 H new ATOM 0 HA THR A 113 3.977 4.698 -10.093 1.00 0.00 H new ATOM 0 HB THR A 113 6.216 4.949 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.020 6.450 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.418 6.572 -9.474 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.385 4.928 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.310 6.185 -10.812 1.00 0.00 H new ATOM 1757 N ILE A 114 5.722 3.339 -11.450 1.00 0.00 N ATOM 1758 CA ILE A 114 6.496 2.299 -12.126 1.00 0.00 C ATOM 1759 C ILE A 114 7.040 2.725 -13.479 1.00 0.00 C ATOM 1760 O ILE A 114 8.226 2.527 -13.699 1.00 0.00 O ATOM 1761 CB ILE A 114 5.686 0.969 -12.217 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.631 -0.166 -12.700 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.423 1.088 -13.107 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.980 -1.567 -12.702 1.00 0.00 C ATOM 0 H ILE A 114 5.371 4.086 -12.050 1.00 0.00 H new ATOM 0 HA ILE A 114 7.375 2.122 -11.507 1.00 0.00 H new ATOM 0 HB ILE A 114 5.310 0.730 -11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.974 0.065 -13.708 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.513 -0.187 -12.060 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.903 0.130 -13.130 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.761 1.851 -12.698 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.716 1.366 -14.119 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.703 -2.304 -13.051 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.662 -1.822 -11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.115 -1.565 -13.365 1.00 0.00 H new ATOM 1776 N GLY A 115 6.237 3.290 -14.414 1.00 0.00 N ATOM 1777 CA GLY A 115 6.760 3.585 -15.746 1.00 0.00 C ATOM 1778 C GLY A 115 5.877 4.579 -16.464 1.00 0.00 C ATOM 1779 O GLY A 115 5.131 4.186 -17.347 1.00 0.00 O ATOM 0 H GLY A 115 5.259 3.539 -14.267 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.771 3.984 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.826 2.665 -16.327 1.00 0.00 H new ATOM 1783 N GLY A 116 5.945 5.874 -16.078 1.00 0.00 N ATOM 1784 CA GLY A 116 5.076 6.874 -16.693 1.00 0.00 C ATOM 1785 C GLY A 116 3.651 6.738 -16.209 1.00 0.00 C ATOM 1786 O GLY A 116 2.766 7.229 -16.893 1.00 0.00 O ATOM 0 H GLY A 116 6.578 6.233 -15.363 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.447 7.872 -16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.105 6.767 -17.777 1.00 0.00 H new ATOM 1790 N VAL A 117 3.411 6.093 -15.041 1.00 0.00 N ATOM 1791 CA VAL A 117 2.052 5.921 -14.527 1.00 0.00 C ATOM 1792 C VAL A 117 2.134 6.017 -13.021 1.00 0.00 C ATOM 1793 O VAL A 117 3.191 5.709 -12.492 1.00 0.00 O ATOM 1794 CB VAL A 117 1.470 4.547 -14.973 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.032 4.321 -14.433 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.461 4.432 -16.522 1.00 0.00 C ATOM 0 H VAL A 117 4.140 5.691 -14.451 1.00 0.00 H new ATOM 0 HA VAL A 117 1.385 6.688 -14.920 1.00 0.00 H new ATOM 0 HB VAL A 117 2.118 3.778 -14.552 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.334 3.351 -14.768 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.044 4.347 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.625 5.106 -14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.051 3.465 -16.813 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.846 5.228 -16.942 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.480 4.522 -16.899 1.00 0.00 H new ATOM 1806 N THR A 118 1.062 6.449 -12.316 1.00 0.00 N ATOM 1807 CA THR A 118 1.149 6.621 -10.867 1.00 0.00 C ATOM 1808 C THR A 118 -0.232 6.422 -10.283 1.00 0.00 C ATOM 1809 O THR A 118 -1.142 7.039 -10.811 1.00 0.00 O ATOM 1810 CB THR A 118 1.686 8.038 -10.525 1.00 0.00 C ATOM 1811 OG1 THR A 118 3.111 8.108 -10.716 1.00 0.00 O ATOM 1812 CG2 THR A 118 1.383 8.416 -9.057 1.00 0.00 C ATOM 0 H THR A 118 0.155 6.677 -12.723 1.00 0.00 H new ATOM 0 HA THR A 118 1.839 5.891 -10.443 1.00 0.00 H new ATOM 0 HB THR A 118 1.182 8.734 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.419 7.301 -11.179 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.772 9.413 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.305 8.406 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.858 7.696 -8.390 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.403 5.596 -9.221 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.738 5.269 -8.712 1.00 0.00 C ATOM 1822 C TYR A 119 -1.936 5.879 -7.339 1.00 0.00 C ATOM 1823 O TYR A 119 -1.527 5.267 -6.366 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.912 3.720 -8.710 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.928 3.182 -7.693 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.101 3.887 -7.407 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.691 1.970 -7.032 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -4.934 3.471 -6.367 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.575 1.508 -6.053 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.685 2.278 -5.688 1.00 0.00 C ATOM 1831 OH TYR A 119 -5.541 1.881 -4.655 1.00 0.00 O ATOM 0 H TYR A 119 0.363 5.154 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.508 5.693 -9.357 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.216 3.402 -9.707 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.944 3.261 -8.511 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.363 4.756 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.817 1.387 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.781 4.079 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.401 0.554 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.220 1.270 -5.010 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.581 7.070 -7.243 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.904 7.644 -5.935 1.00 0.00 C ATOM 1843 C GLU A 120 -4.095 6.949 -5.313 1.00 0.00 C ATOM 1844 O GLU A 120 -4.918 6.452 -6.064 1.00 0.00 O ATOM 1845 CB GLU A 120 -3.208 9.164 -5.975 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.034 10.017 -6.521 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.457 11.451 -6.716 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.039 12.036 -5.763 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -2.211 12.008 -7.821 1.00 0.00 O ATOM 0 H GLU A 120 -2.877 7.631 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.005 7.492 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.089 9.334 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.456 9.503 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.194 9.972 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.688 9.603 -7.468 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.217 6.931 -3.960 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.399 6.343 -3.317 1.00 0.00 C ATOM 1858 C ARG A 121 -5.715 7.159 -2.088 1.00 0.00 C ATOM 1859 O ARG A 121 -4.928 8.042 -1.793 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.189 4.850 -2.930 1.00 0.00 C ATOM 1861 CG ARG A 121 -4.262 4.668 -1.696 1.00 0.00 C ATOM 1862 CD ARG A 121 -4.217 3.208 -1.163 1.00 0.00 C ATOM 1863 NE ARG A 121 -3.501 2.273 -2.030 1.00 0.00 N ATOM 1864 CZ ARG A 121 -3.363 0.992 -1.750 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.882 0.433 -0.679 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -2.674 0.235 -2.573 1.00 0.00 N ATOM 0 H ARG A 121 -3.524 7.310 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.227 6.363 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.157 4.395 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.763 4.316 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.252 4.981 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.600 5.328 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.746 3.207 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.238 2.851 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.089 2.629 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.420 0.996 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.747 -0.563 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.257 0.641 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.556 -0.758 -2.374 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.816 6.876 -1.355 1.00 0.00 N ATOM 1881 CA VAL A 122 -7.125 7.641 -0.149 1.00 0.00 C ATOM 1882 C VAL A 122 -7.714 6.688 0.869 1.00 0.00 C ATOM 1883 O VAL A 122 -8.922 6.656 1.040 1.00 0.00 O ATOM 1884 CB VAL A 122 -8.082 8.825 -0.495 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -7.309 10.033 -1.094 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -9.204 8.400 -1.486 1.00 0.00 C ATOM 0 H VAL A 122 -7.485 6.139 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.227 8.089 0.276 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.540 9.124 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -8.009 10.836 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -6.572 10.387 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.802 9.724 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.845 9.255 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -8.755 8.045 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.799 7.602 -1.042 1.00 0.00 H new ATOM 1896 N SER A 123 -6.870 5.892 1.567 1.00 0.00 N ATOM 1897 CA SER A 123 -7.411 4.968 2.553 1.00 0.00 C ATOM 1898 C SER A 123 -7.846 5.823 3.727 1.00 0.00 C ATOM 1899 O SER A 123 -7.000 6.193 4.523 1.00 0.00 O ATOM 1900 CB SER A 123 -6.342 3.915 2.946 1.00 0.00 C ATOM 1901 OG SER A 123 -5.841 3.212 1.797 1.00 0.00 O ATOM 0 H SER A 123 -5.855 5.879 1.463 1.00 0.00 H new ATOM 0 HA SER A 123 -8.258 4.399 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.517 4.408 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.774 3.203 3.649 1.00 0.00 H new ATOM 0 HG SER A 123 -5.169 2.558 2.081 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.144 6.179 3.857 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.554 7.096 4.929 1.00 0.00 C ATOM 1909 C LYS A 124 -9.390 6.430 6.274 1.00 0.00 C ATOM 1910 O LYS A 124 -9.148 5.238 6.259 1.00 0.00 O ATOM 1911 CB LYS A 124 -10.985 7.645 4.708 1.00 0.00 C ATOM 1912 CG LYS A 124 -10.941 8.725 3.600 1.00 0.00 C ATOM 1913 CD LYS A 124 -12.355 9.161 3.171 1.00 0.00 C ATOM 1914 CE LYS A 124 -13.172 9.899 4.266 1.00 0.00 C ATOM 1915 NZ LYS A 124 -14.456 10.398 3.720 1.00 0.00 N ATOM 0 H LYS A 124 -9.899 5.855 3.252 1.00 0.00 H new ATOM 0 HA LYS A 124 -8.898 7.966 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.659 6.838 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.373 8.070 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -10.386 9.592 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.402 8.337 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.270 9.812 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.912 8.278 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.364 9.223 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.591 10.733 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.985 10.888 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -14.268 11.060 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.018 9.597 3.367 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.511 7.154 7.416 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.214 6.585 8.736 1.00 0.00 C ATOM 1931 C ARG A 125 -10.540 6.351 9.419 1.00 0.00 C ATOM 1932 O ARG A 125 -11.035 7.241 10.092 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.300 7.539 9.555 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.614 6.882 10.790 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.597 6.296 11.839 1.00 0.00 C ATOM 1936 NE ARG A 125 -7.889 5.797 13.021 1.00 0.00 N ATOM 1937 CZ ARG A 125 -8.476 5.139 13.999 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -9.767 4.897 14.021 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -7.742 4.705 14.999 1.00 0.00 N ATOM 0 H ARG A 125 -9.812 8.128 7.439 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.668 5.646 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.528 7.935 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.895 8.387 9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.956 6.085 10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.984 7.626 11.278 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -9.311 7.064 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.171 5.486 11.389 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.886 5.969 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.360 5.223 13.258 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.176 4.383 14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.737 4.880 15.008 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.177 4.193 15.767 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.125 5.147 9.241 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.456 4.856 9.763 1.00 0.00 C ATOM 1955 C LEU A 126 -12.650 3.357 9.706 1.00 0.00 C ATOM 1956 O LEU A 126 -11.645 2.664 9.755 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.526 5.726 9.040 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.847 5.339 7.566 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.709 6.461 6.932 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.566 5.141 6.725 1.00 0.00 C ATOM 0 H LEU A 126 -10.690 4.372 8.741 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.574 5.139 10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.451 5.680 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.192 6.763 9.057 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.385 4.391 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.941 6.202 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.636 6.570 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.157 7.401 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.839 4.872 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.991 6.067 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.964 4.344 7.161 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.887 2.823 9.614 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.060 1.374 9.660 1.00 0.00 C ATOM 1974 C ALA A 127 -15.326 0.976 8.942 1.00 0.00 C ATOM 1975 O ALA A 127 -16.199 0.324 9.490 1.00 0.00 O ATOM 1976 CB ALA A 127 -14.064 0.948 11.151 1.00 0.00 C ATOM 0 H ALA A 127 -14.748 3.361 9.511 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.245 0.862 9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -14.192 -0.132 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -13.118 1.232 11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.884 1.444 11.669 1.00 0.00 H new TER 1982 ALA A 127