USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1022 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 69 SER OG : rot -112:sc= 0.346 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -6.89! C(o=-7.1!,f=-18!) USER MOD Set 1.3: A 94 MET CE :methyl 177:sc= -0.524 (180deg=-0.558) USER MOD Set 2.1: A 30 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.8!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00615) USER MOD Set 3.2: A 16 ASN : amide:sc= -0.134 K(o=-0.72,f=-2.1!) USER MOD Set 3.3: A 18 ASN : amide:sc= -0.583 X(o=-0.72,f=-0.49) USER MOD Set 4.1: A 10 SER OG : rot 180:sc= -0.0955 USER MOD Set 4.2: A 11 ASN : amide:sc= 0 K(o=-0.096,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.086 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 1.11 USER MOD Single : A 3 SER OG : rot 22:sc= 0.397 USER MOD Single : A 5 SER OG : rot 17:sc= 1.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.0311 (180deg=-0.332) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 42:sc= 0.0191 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 110:sc= -0.723 USER MOD Single : A 49 CYS SG : rot 77:sc= -0.577 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 53 TYR OH : rot 150:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -100:sc= -1.81 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.013) USER MOD Single : A 82 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.7) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.25) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -110:sc= 0.0385 USER MOD Single : A 101 THR OG1 : rot 114:sc= 0.541 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 160:sc= -0.0321 (180deg=-0.242) USER MOD Single : A 107 MET CE :methyl -140:sc= -0.0551 (180deg=-1.63) USER MOD Single : A 111 MET CE :methyl 140:sc= -3.45! (180deg=-8.69!) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc=-0.00329 (180deg=-0.131) USER MOD Single : A 114 MET CE :methyl -137:sc= -0.746 (180deg=-2.52!) USER MOD Single : A 121 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.3!) USER MOD Single : A 122 THR OG1 : rot -59:sc= 0.505 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0906 USER MOD Single : A 126 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.640 -13.681 -19.886 1.00 0.00 N ATOM 2 CA GLY A 1 -21.777 -13.344 -19.049 1.00 0.00 C ATOM 3 C GLY A 1 -22.023 -11.850 -18.981 1.00 0.00 C ATOM 4 O GLY A 1 -21.314 -11.067 -19.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.940 -14.345 -20.628 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.264 -12.817 -20.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.900 -14.123 -19.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.668 -13.839 -19.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.610 -13.728 -18.043 1.00 0.00 H new ATOM 8 N SER A 2 -23.032 -11.452 -18.212 1.00 0.00 N ATOM 9 CA SER A 2 -23.374 -10.042 -18.068 1.00 0.00 C ATOM 10 C SER A 2 -22.190 -9.249 -17.524 1.00 0.00 C ATOM 11 O SER A 2 -21.857 -9.342 -16.343 1.00 0.00 O ATOM 12 CB SER A 2 -24.581 -9.880 -17.141 1.00 0.00 C ATOM 13 OG SER A 2 -24.267 -10.289 -15.821 1.00 0.00 O ATOM 0 H SER A 2 -23.627 -12.087 -17.679 1.00 0.00 H new ATOM 0 HA SER A 2 -23.628 -9.652 -19.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.903 -8.839 -17.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.416 -10.470 -17.519 1.00 0.00 H new ATOM 0 HG SER A 2 -23.326 -10.090 -15.632 1.00 0.00 H new ATOM 19 N SER A 3 -21.558 -8.469 -18.395 1.00 0.00 N ATOM 20 CA SER A 3 -20.408 -7.662 -18.004 1.00 0.00 C ATOM 21 C SER A 3 -20.279 -6.432 -18.898 1.00 0.00 C ATOM 22 O SER A 3 -20.237 -6.543 -20.123 1.00 0.00 O ATOM 23 CB SER A 3 -19.127 -8.494 -18.073 1.00 0.00 C ATOM 24 OG SER A 3 -18.941 -9.245 -16.886 1.00 0.00 O ATOM 0 H SER A 3 -21.823 -8.379 -19.376 1.00 0.00 H new ATOM 0 HA SER A 3 -20.561 -7.329 -16.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.173 -9.167 -18.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.271 -7.837 -18.229 1.00 0.00 H new ATOM 0 HG SER A 3 -19.802 -9.358 -16.432 1.00 0.00 H new ATOM 30 N GLY A 4 -20.215 -5.259 -18.275 1.00 0.00 N ATOM 31 CA GLY A 4 -20.091 -4.025 -19.029 1.00 0.00 C ATOM 32 C GLY A 4 -18.809 -3.280 -18.714 1.00 0.00 C ATOM 33 O GLY A 4 -18.263 -3.406 -17.618 1.00 0.00 O ATOM 0 H GLY A 4 -20.247 -5.141 -17.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.125 -4.249 -20.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.944 -3.382 -18.811 1.00 0.00 H new ATOM 37 N SER A 5 -18.326 -2.503 -19.678 1.00 0.00 N ATOM 38 CA SER A 5 -17.096 -1.739 -19.500 1.00 0.00 C ATOM 39 C SER A 5 -16.989 -0.632 -20.545 1.00 0.00 C ATOM 40 O SER A 5 -17.707 -0.635 -21.544 1.00 0.00 O ATOM 41 CB SER A 5 -15.880 -2.662 -19.591 1.00 0.00 C ATOM 42 OG SER A 5 -15.684 -3.369 -18.378 1.00 0.00 O ATOM 0 H SER A 5 -18.767 -2.386 -20.590 1.00 0.00 H new ATOM 0 HA SER A 5 -17.121 -1.280 -18.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.017 -3.369 -20.409 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.991 -2.075 -19.821 1.00 0.00 H new ATOM 0 HG SER A 5 -16.500 -3.324 -17.838 1.00 0.00 H new ATOM 48 N SER A 6 -16.085 0.313 -20.305 1.00 0.00 N ATOM 49 CA SER A 6 -15.884 1.428 -21.223 1.00 0.00 C ATOM 50 C SER A 6 -14.671 1.186 -22.115 1.00 0.00 C ATOM 51 O SER A 6 -14.777 1.187 -23.341 1.00 0.00 O ATOM 52 CB SER A 6 -15.706 2.732 -20.442 1.00 0.00 C ATOM 53 OG SER A 6 -16.804 2.963 -19.577 1.00 0.00 O ATOM 0 H SER A 6 -15.481 0.329 -19.483 1.00 0.00 H new ATOM 0 HA SER A 6 -16.767 1.509 -21.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.785 2.689 -19.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.606 3.565 -21.138 1.00 0.00 H new ATOM 0 HG SER A 6 -16.665 3.801 -19.088 1.00 0.00 H new ATOM 59 N GLY A 7 -13.516 0.979 -21.490 1.00 0.00 N ATOM 60 CA GLY A 7 -12.298 0.739 -22.241 1.00 0.00 C ATOM 61 C GLY A 7 -11.055 0.841 -21.379 1.00 0.00 C ATOM 62 O GLY A 7 -10.504 -0.172 -20.948 1.00 0.00 O ATOM 0 H GLY A 7 -13.402 0.973 -20.476 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.343 -0.252 -22.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.230 1.458 -23.057 1.00 0.00 H new ATOM 66 N LYS A 8 -10.610 2.068 -21.128 1.00 0.00 N ATOM 67 CA LYS A 8 -9.424 2.300 -20.313 1.00 0.00 C ATOM 68 C LYS A 8 -9.746 3.207 -19.130 1.00 0.00 C ATOM 69 O LYS A 8 -10.537 4.143 -19.250 1.00 0.00 O ATOM 70 CB LYS A 8 -8.312 2.924 -21.159 1.00 0.00 C ATOM 71 CG LYS A 8 -8.715 4.226 -21.828 1.00 0.00 C ATOM 72 CD LYS A 8 -9.403 3.979 -23.161 1.00 0.00 C ATOM 73 CE LYS A 8 -10.399 5.082 -23.486 1.00 0.00 C ATOM 74 NZ LYS A 8 -9.720 6.323 -23.950 1.00 0.00 N ATOM 0 H LYS A 8 -11.054 2.917 -21.478 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.084 1.338 -19.929 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.443 3.104 -20.526 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.006 2.211 -21.925 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.383 4.782 -21.170 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.831 4.845 -21.983 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.655 3.918 -23.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.918 3.019 -23.134 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.087 4.735 -24.257 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.997 5.304 -22.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.433 7.050 -24.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.082 6.669 -23.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.170 6.118 -24.808 1.00 0.00 H new ATOM 88 N ARG A 9 -9.129 2.924 -17.988 1.00 0.00 N ATOM 89 CA ARG A 9 -9.350 3.715 -16.783 1.00 0.00 C ATOM 90 C ARG A 9 -8.485 4.972 -16.791 1.00 0.00 C ATOM 91 O ARG A 9 -7.282 4.911 -16.539 1.00 0.00 O ATOM 92 CB ARG A 9 -9.045 2.881 -15.537 1.00 0.00 C ATOM 93 CG ARG A 9 -10.216 2.030 -15.073 1.00 0.00 C ATOM 94 CD ARG A 9 -9.924 1.362 -13.738 1.00 0.00 C ATOM 95 NE ARG A 9 -10.656 0.108 -13.581 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.971 0.042 -13.403 1.00 0.00 C ATOM 97 NH1 ARG A 9 -12.694 1.153 -13.360 1.00 0.00 N ATOM 98 NH2 ARG A 9 -12.565 -1.137 -13.268 1.00 0.00 N ATOM 0 H ARG A 9 -8.472 2.153 -17.871 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.397 4.016 -16.763 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.194 2.232 -15.744 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.748 3.548 -14.727 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.106 2.652 -14.983 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.434 1.269 -15.822 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.854 1.170 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.190 2.041 -12.927 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.129 -0.765 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.241 2.061 -13.464 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.703 1.100 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.012 -1.993 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.575 -1.187 -13.131 1.00 0.00 H new ATOM 112 N SER A 10 -9.107 6.110 -17.083 1.00 0.00 N ATOM 113 CA SER A 10 -8.393 7.381 -17.128 1.00 0.00 C ATOM 114 C SER A 10 -8.569 8.149 -15.822 1.00 0.00 C ATOM 115 O SER A 10 -7.609 8.690 -15.274 1.00 0.00 O ATOM 116 CB SER A 10 -8.890 8.227 -18.302 1.00 0.00 C ATOM 117 OG SER A 10 -10.235 8.628 -18.108 1.00 0.00 O ATOM 0 H SER A 10 -10.103 6.178 -17.292 1.00 0.00 H new ATOM 0 HA SER A 10 -7.332 7.170 -17.265 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.257 9.107 -18.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.807 7.656 -19.227 1.00 0.00 H new ATOM 0 HG SER A 10 -10.528 9.169 -18.871 1.00 0.00 H new ATOM 123 N ASN A 11 -9.802 8.192 -15.329 1.00 0.00 N ATOM 124 CA ASN A 11 -10.105 8.895 -14.088 1.00 0.00 C ATOM 125 C ASN A 11 -9.620 8.099 -12.880 1.00 0.00 C ATOM 126 O ASN A 11 -9.322 6.909 -12.986 1.00 0.00 O ATOM 127 CB ASN A 11 -11.610 9.147 -13.974 1.00 0.00 C ATOM 128 CG ASN A 11 -12.100 10.178 -14.973 1.00 0.00 C ATOM 129 OD1 ASN A 11 -11.330 10.680 -15.792 1.00 0.00 O ATOM 130 ND2 ASN A 11 -13.387 10.498 -14.909 1.00 0.00 N ATOM 0 H ASN A 11 -10.608 7.748 -15.770 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.583 9.852 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.145 8.210 -14.130 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.844 9.484 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.774 11.185 -15.555 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.988 10.056 -14.214 1.00 0.00 H new ATOM 137 N SER A 12 -9.543 8.764 -11.732 1.00 0.00 N ATOM 138 CA SER A 12 -9.091 8.120 -10.504 1.00 0.00 C ATOM 139 C SER A 12 -10.118 7.103 -10.014 1.00 0.00 C ATOM 140 O SER A 12 -11.191 6.957 -10.599 1.00 0.00 O ATOM 141 CB SER A 12 -8.835 9.167 -9.418 1.00 0.00 C ATOM 142 OG SER A 12 -7.647 9.894 -9.681 1.00 0.00 O ATOM 0 H SER A 12 -9.788 9.749 -11.626 1.00 0.00 H new ATOM 0 HA SER A 12 -8.160 7.596 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.680 9.853 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.758 8.677 -8.447 1.00 0.00 H new ATOM 0 HG SER A 12 -7.506 10.558 -8.974 1.00 0.00 H new ATOM 148 N ILE A 13 -9.780 6.403 -8.936 1.00 0.00 N ATOM 149 CA ILE A 13 -10.671 5.401 -8.366 1.00 0.00 C ATOM 150 C ILE A 13 -11.061 5.761 -6.937 1.00 0.00 C ATOM 151 O ILE A 13 -10.226 6.199 -6.145 1.00 0.00 O ATOM 152 CB ILE A 13 -10.025 4.003 -8.374 1.00 0.00 C ATOM 153 CG1 ILE A 13 -9.709 3.571 -9.807 1.00 0.00 C ATOM 154 CG2 ILE A 13 -10.942 2.992 -7.701 1.00 0.00 C ATOM 155 CD1 ILE A 13 -8.673 2.472 -9.893 1.00 0.00 C ATOM 0 H ILE A 13 -8.895 6.512 -8.440 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.565 5.382 -8.990 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.091 4.048 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.627 3.232 -10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.357 4.436 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.472 2.009 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.122 3.294 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.890 2.948 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.499 2.217 -10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.741 2.815 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.031 1.592 -9.359 1.00 0.00 H new ATOM 167 N LYS A 14 -12.335 5.572 -6.611 1.00 0.00 N ATOM 168 CA LYS A 14 -12.837 5.873 -5.276 1.00 0.00 C ATOM 169 C LYS A 14 -12.706 4.661 -4.359 1.00 0.00 C ATOM 170 O LYS A 14 -13.107 3.554 -4.717 1.00 0.00 O ATOM 171 CB LYS A 14 -14.300 6.317 -5.346 1.00 0.00 C ATOM 172 CG LYS A 14 -14.814 6.925 -4.053 1.00 0.00 C ATOM 173 CD LYS A 14 -15.363 5.862 -3.116 1.00 0.00 C ATOM 174 CE LYS A 14 -16.404 6.438 -2.169 1.00 0.00 C ATOM 175 NZ LYS A 14 -17.238 5.372 -1.546 1.00 0.00 N ATOM 0 H LYS A 14 -13.040 5.211 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.237 6.685 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.412 7.045 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.919 5.458 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.007 7.466 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.595 7.652 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.807 5.055 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.547 5.427 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.906 7.012 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.047 7.130 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.999 5.809 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.653 4.776 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.645 4.786 -0.924 1.00 0.00 H new ATOM 189 N ARG A 15 -12.143 4.879 -3.175 1.00 0.00 N ATOM 190 CA ARG A 15 -11.960 3.804 -2.207 1.00 0.00 C ATOM 191 C ARG A 15 -13.123 3.756 -1.221 1.00 0.00 C ATOM 192 O ARG A 15 -13.547 4.785 -0.696 1.00 0.00 O ATOM 193 CB ARG A 15 -10.643 3.989 -1.450 1.00 0.00 C ATOM 194 CG ARG A 15 -10.580 3.220 -0.141 1.00 0.00 C ATOM 195 CD ARG A 15 -9.385 3.645 0.698 1.00 0.00 C ATOM 196 NE ARG A 15 -9.642 3.503 2.128 1.00 0.00 N ATOM 197 CZ ARG A 15 -9.619 2.338 2.767 1.00 0.00 C ATOM 198 NH1 ARG A 15 -9.353 1.221 2.105 1.00 0.00 N ATOM 199 NH2 ARG A 15 -9.863 2.290 4.070 1.00 0.00 N ATOM 0 H ARG A 15 -11.806 5.790 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.929 2.860 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.819 3.671 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.497 5.050 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.498 3.384 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.519 2.152 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.518 3.044 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.137 4.683 0.476 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.851 4.344 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.165 1.254 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.336 0.328 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.069 3.148 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.845 1.395 4.560 1.00 0.00 H new ATOM 213 N ASN A 16 -13.635 2.554 -0.974 1.00 0.00 N ATOM 214 CA ASN A 16 -14.750 2.372 -0.052 1.00 0.00 C ATOM 215 C ASN A 16 -14.247 2.140 1.370 1.00 0.00 C ATOM 216 O ASN A 16 -13.643 1.113 1.681 1.00 0.00 O ATOM 217 CB ASN A 16 -15.619 1.195 -0.497 1.00 0.00 C ATOM 218 CG ASN A 16 -17.052 1.321 -0.016 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.566 2.426 0.155 1.00 0.00 O ATOM 220 ND2 ASN A 16 -17.704 0.185 0.203 1.00 0.00 N ATOM 0 H ASN A 16 -13.295 1.692 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.350 3.282 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.608 1.130 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.191 0.267 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.671 0.206 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.238 -0.709 0.048 1.00 0.00 H new ATOM 227 N PRO A 17 -14.503 3.115 2.255 1.00 0.00 N ATOM 228 CA PRO A 17 -14.087 3.039 3.658 1.00 0.00 C ATOM 229 C PRO A 17 -14.444 1.701 4.297 1.00 0.00 C ATOM 230 O PRO A 17 -13.565 0.946 4.710 1.00 0.00 O ATOM 231 CB PRO A 17 -14.870 4.175 4.322 1.00 0.00 C ATOM 232 CG PRO A 17 -15.100 5.164 3.232 1.00 0.00 C ATOM 233 CD PRO A 17 -15.219 4.365 1.953 1.00 0.00 C ATOM 0 HA PRO A 17 -13.006 3.127 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.812 3.817 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.307 4.616 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -16.006 5.741 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.276 5.875 3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.261 4.177 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.770 4.890 1.110 1.00 0.00 H new ATOM 241 N ASN A 18 -15.740 1.415 4.376 1.00 0.00 N ATOM 242 CA ASN A 18 -16.213 0.168 4.965 1.00 0.00 C ATOM 243 C ASN A 18 -15.321 -1.000 4.555 1.00 0.00 C ATOM 244 O ASN A 18 -14.891 -1.791 5.394 1.00 0.00 O ATOM 245 CB ASN A 18 -17.657 -0.105 4.541 1.00 0.00 C ATOM 246 CG ASN A 18 -18.475 1.166 4.423 1.00 0.00 C ATOM 247 OD1 ASN A 18 -19.002 1.672 5.413 1.00 0.00 O ATOM 248 ND2 ASN A 18 -18.585 1.688 3.206 1.00 0.00 N ATOM 0 H ASN A 18 -16.481 2.030 4.039 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.173 0.269 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.659 -0.626 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.126 -0.770 5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.124 2.543 3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.131 1.234 2.413 1.00 0.00 H new ATOM 255 N ALA A 19 -15.046 -1.101 3.259 1.00 0.00 N ATOM 256 CA ALA A 19 -14.203 -2.170 2.737 1.00 0.00 C ATOM 257 C ALA A 19 -13.110 -2.542 3.733 1.00 0.00 C ATOM 258 O ALA A 19 -12.101 -1.849 3.871 1.00 0.00 O ATOM 259 CB ALA A 19 -13.591 -1.758 1.407 1.00 0.00 C ATOM 0 H ALA A 19 -15.395 -0.455 2.551 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.828 -3.049 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.964 -2.566 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.385 -1.549 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.984 -0.863 1.547 1.00 0.00 H new ATOM 265 N PRO A 20 -13.311 -3.661 4.444 1.00 0.00 N ATOM 266 CA PRO A 20 -12.352 -4.150 5.440 1.00 0.00 C ATOM 267 C PRO A 20 -10.917 -4.118 4.926 1.00 0.00 C ATOM 268 O PRO A 20 -10.601 -4.718 3.899 1.00 0.00 O ATOM 269 CB PRO A 20 -12.801 -5.592 5.686 1.00 0.00 C ATOM 270 CG PRO A 20 -14.261 -5.591 5.391 1.00 0.00 C ATOM 271 CD PRO A 20 -14.491 -4.536 4.332 1.00 0.00 C ATOM 0 HA PRO A 20 -12.346 -3.533 6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.267 -6.288 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.605 -5.897 6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.585 -6.570 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.837 -5.369 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.569 -4.977 3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.415 -3.986 4.510 1.00 0.00 H new ATOM 279 N VAL A 21 -10.050 -3.415 5.648 1.00 0.00 N ATOM 280 CA VAL A 21 -8.647 -3.306 5.266 1.00 0.00 C ATOM 281 C VAL A 21 -7.874 -4.562 5.653 1.00 0.00 C ATOM 282 O VAL A 21 -7.851 -4.956 6.819 1.00 0.00 O ATOM 283 CB VAL A 21 -7.980 -2.083 5.922 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.511 -2.006 5.537 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.710 -0.806 5.534 1.00 0.00 C ATOM 0 H VAL A 21 -10.295 -2.912 6.501 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.622 -3.186 4.183 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.041 -2.194 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.056 -1.136 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.000 -2.909 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.423 -1.918 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.225 0.048 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.682 -0.686 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.747 -0.864 5.866 1.00 0.00 H new ATOM 295 N VAL A 22 -7.240 -5.187 4.666 1.00 0.00 N ATOM 296 CA VAL A 22 -6.464 -6.399 4.903 1.00 0.00 C ATOM 297 C VAL A 22 -5.218 -6.100 5.730 1.00 0.00 C ATOM 298 O VAL A 22 -4.941 -6.778 6.719 1.00 0.00 O ATOM 299 CB VAL A 22 -6.040 -7.061 3.578 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.148 -8.264 3.844 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.264 -7.463 2.769 1.00 0.00 C ATOM 0 H VAL A 22 -7.248 -4.874 3.695 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.107 -7.085 5.454 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.469 -6.337 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.858 -8.719 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.255 -7.943 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.690 -8.993 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.947 -7.929 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.863 -8.170 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.861 -6.578 2.548 1.00 0.00 H new ATOM 311 N ARG A 23 -4.471 -5.081 5.318 1.00 0.00 N ATOM 312 CA ARG A 23 -3.255 -4.692 6.021 1.00 0.00 C ATOM 313 C ARG A 23 -2.712 -3.373 5.480 1.00 0.00 C ATOM 314 O ARG A 23 -2.736 -3.128 4.273 1.00 0.00 O ATOM 315 CB ARG A 23 -2.193 -5.785 5.888 1.00 0.00 C ATOM 316 CG ARG A 23 -1.037 -5.634 6.864 1.00 0.00 C ATOM 317 CD ARG A 23 -1.312 -6.363 8.170 1.00 0.00 C ATOM 318 NE ARG A 23 -1.581 -7.782 7.958 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.637 -8.674 8.941 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.444 -8.295 10.197 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.888 -9.949 8.669 1.00 0.00 N ATOM 0 H ARG A 23 -4.687 -4.510 4.501 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.501 -4.559 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.663 -6.757 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.802 -5.778 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.125 -6.025 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.865 -4.577 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.455 -6.252 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.165 -5.903 8.669 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.734 -8.106 7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.252 -7.316 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.488 -8.982 10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.038 -10.245 7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.931 -10.633 9.425 1.00 0.00 H new ATOM 335 N ARG A 24 -2.224 -2.526 6.380 1.00 0.00 N ATOM 336 CA ARG A 24 -1.677 -1.231 5.994 1.00 0.00 C ATOM 337 C ARG A 24 -0.306 -1.009 6.626 1.00 0.00 C ATOM 338 O ARG A 24 -0.158 -1.061 7.846 1.00 0.00 O ATOM 339 CB ARG A 24 -2.630 -0.107 6.408 1.00 0.00 C ATOM 340 CG ARG A 24 -3.090 -0.201 7.853 1.00 0.00 C ATOM 341 CD ARG A 24 -4.107 0.879 8.185 1.00 0.00 C ATOM 342 NE ARG A 24 -4.234 1.088 9.625 1.00 0.00 N ATOM 343 CZ ARG A 24 -5.317 1.599 10.201 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.361 1.951 9.463 1.00 0.00 N ATOM 345 NH2 ARG A 24 -5.357 1.758 11.517 1.00 0.00 N ATOM 0 H ARG A 24 -2.196 -2.713 7.382 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.564 -1.221 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.136 0.852 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.503 -0.124 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.528 -1.183 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.230 -0.109 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.812 1.814 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.077 0.603 7.772 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.448 0.827 10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.334 1.830 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.191 2.343 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.556 1.488 12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.189 2.150 11.958 1.00 0.00 H new ATOM 359 N GLY A 25 0.694 -0.762 5.785 1.00 0.00 N ATOM 360 CA GLY A 25 2.040 -0.536 6.280 1.00 0.00 C ATOM 361 C GLY A 25 2.884 0.272 5.315 1.00 0.00 C ATOM 362 O GLY A 25 2.572 0.357 4.127 1.00 0.00 O ATOM 0 H GLY A 25 0.596 -0.714 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.990 -0.016 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.522 -1.496 6.464 1.00 0.00 H new ATOM 366 N TRP A 26 3.955 0.869 5.826 1.00 0.00 N ATOM 367 CA TRP A 26 4.846 1.677 5.000 1.00 0.00 C ATOM 368 C TRP A 26 5.700 0.794 4.097 1.00 0.00 C ATOM 369 O TRP A 26 6.805 0.395 4.468 1.00 0.00 O ATOM 370 CB TRP A 26 5.744 2.545 5.883 1.00 0.00 C ATOM 371 CG TRP A 26 5.033 3.725 6.475 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.406 3.780 7.686 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.876 5.018 5.880 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.868 5.030 7.880 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.143 5.808 6.787 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.285 5.585 4.670 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.811 7.133 6.520 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.954 6.901 4.406 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.224 7.663 5.328 1.00 0.00 C ATOM 0 H TRP A 26 4.228 0.809 6.807 1.00 0.00 H new ATOM 0 HA TRP A 26 4.233 2.323 4.371 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.150 1.933 6.688 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.590 2.898 5.293 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.342 2.962 8.388 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.348 5.330 8.705 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.849 5.006 3.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.247 7.722 7.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.263 7.349 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.983 8.689 5.093 1.00 0.00 H new ATOM 390 N LEU A 27 5.184 0.494 2.911 1.00 0.00 N ATOM 391 CA LEU A 27 5.900 -0.342 1.953 1.00 0.00 C ATOM 392 C LEU A 27 6.824 0.501 1.080 1.00 0.00 C ATOM 393 O LEU A 27 6.582 1.689 0.868 1.00 0.00 O ATOM 394 CB LEU A 27 4.910 -1.110 1.076 1.00 0.00 C ATOM 395 CG LEU A 27 5.520 -2.117 0.101 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.946 -3.380 0.834 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.533 -2.450 -1.009 1.00 0.00 C ATOM 0 H LEU A 27 4.272 0.817 2.589 1.00 0.00 H new ATOM 0 HA LEU A 27 6.508 -1.054 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.214 -1.640 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.326 -0.389 0.504 1.00 0.00 H new ATOM 0 HG LEU A 27 6.405 -1.667 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.378 -4.085 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.688 -3.128 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.078 -3.833 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.984 -3.168 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.630 -2.880 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.277 -1.541 -1.553 1.00 0.00 H new ATOM 409 N TYR A 28 7.882 -0.123 0.574 1.00 0.00 N ATOM 410 CA TYR A 28 8.843 0.569 -0.277 1.00 0.00 C ATOM 411 C TYR A 28 8.589 0.259 -1.749 1.00 0.00 C ATOM 412 O TYR A 28 8.475 -0.902 -2.141 1.00 0.00 O ATOM 413 CB TYR A 28 10.271 0.171 0.101 1.00 0.00 C ATOM 414 CG TYR A 28 10.573 0.329 1.574 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.711 1.588 2.145 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.721 -0.782 2.396 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.989 1.736 3.490 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.997 -0.643 3.742 1.00 0.00 C ATOM 419 CZ TYR A 28 11.130 0.618 4.284 1.00 0.00 C ATOM 420 OH TYR A 28 11.405 0.761 5.625 1.00 0.00 O ATOM 0 H TYR A 28 8.096 -1.107 0.738 1.00 0.00 H new ATOM 0 HA TYR A 28 8.720 1.641 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.438 -0.867 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.972 0.777 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.599 2.466 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.618 -1.771 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.095 2.722 3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.108 -1.517 4.367 1.00 0.00 H new ATOM 0 HH TYR A 28 11.472 -0.124 6.041 1.00 0.00 H new ATOM 430 N LYS A 29 8.503 1.307 -2.561 1.00 0.00 N ATOM 431 CA LYS A 29 8.265 1.151 -3.991 1.00 0.00 C ATOM 432 C LYS A 29 9.384 1.796 -4.803 1.00 0.00 C ATOM 433 O LYS A 29 9.866 2.876 -4.462 1.00 0.00 O ATOM 434 CB LYS A 29 6.919 1.769 -4.376 1.00 0.00 C ATOM 435 CG LYS A 29 6.657 1.773 -5.872 1.00 0.00 C ATOM 436 CD LYS A 29 5.186 1.994 -6.180 1.00 0.00 C ATOM 437 CE LYS A 29 4.803 3.460 -6.045 1.00 0.00 C ATOM 438 NZ LYS A 29 5.443 4.300 -7.095 1.00 0.00 N ATOM 0 H LYS A 29 8.595 2.275 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 29 8.245 0.085 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.121 1.220 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.880 2.794 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.250 2.556 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.981 0.825 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.970 1.652 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.577 1.394 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.720 3.560 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.097 3.823 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.920 5.193 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.427 4.503 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.430 3.791 -8.002 1.00 0.00 H new ATOM 452 N GLN A 30 9.790 1.128 -5.877 1.00 0.00 N ATOM 453 CA GLN A 30 10.851 1.638 -6.737 1.00 0.00 C ATOM 454 C GLN A 30 10.318 2.708 -7.685 1.00 0.00 C ATOM 455 O GLN A 30 9.110 2.812 -7.902 1.00 0.00 O ATOM 456 CB GLN A 30 11.479 0.497 -7.540 1.00 0.00 C ATOM 457 CG GLN A 30 12.871 0.815 -8.062 1.00 0.00 C ATOM 458 CD GLN A 30 13.728 -0.424 -8.231 1.00 0.00 C ATOM 459 OE1 GLN A 30 13.981 -0.870 -9.351 1.00 0.00 O ATOM 460 NE2 GLN A 30 14.179 -0.989 -7.118 1.00 0.00 N ATOM 0 H GLN A 30 9.401 0.233 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 30 11.613 2.089 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.530 -0.393 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.830 0.256 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.787 1.328 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.364 1.502 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.945 -0.586 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.760 -1.826 -7.170 1.00 0.00 H new ATOM 469 N ASP A 31 11.224 3.500 -8.245 1.00 0.00 N ATOM 470 CA ASP A 31 10.845 4.562 -9.169 1.00 0.00 C ATOM 471 C ASP A 31 11.767 4.580 -10.384 1.00 0.00 C ATOM 472 O ASP A 31 12.974 4.369 -10.263 1.00 0.00 O ATOM 473 CB ASP A 31 10.883 5.919 -8.465 1.00 0.00 C ATOM 474 CG ASP A 31 9.846 6.030 -7.364 1.00 0.00 C ATOM 475 OD1 ASP A 31 9.626 5.026 -6.654 1.00 0.00 O ATOM 476 OD2 ASP A 31 9.254 7.119 -7.213 1.00 0.00 O ATOM 0 H ASP A 31 12.227 3.427 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 31 9.828 4.367 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.875 6.078 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.717 6.709 -9.197 1.00 0.00 H new ATOM 481 N SER A 32 11.190 4.832 -11.555 1.00 0.00 N ATOM 482 CA SER A 32 11.960 4.872 -12.793 1.00 0.00 C ATOM 483 C SER A 32 12.715 6.191 -12.921 1.00 0.00 C ATOM 484 O SER A 32 13.903 6.212 -13.245 1.00 0.00 O ATOM 485 CB SER A 32 11.037 4.681 -13.998 1.00 0.00 C ATOM 486 OG SER A 32 10.614 3.333 -14.109 1.00 0.00 O ATOM 0 H SER A 32 10.193 5.011 -11.672 1.00 0.00 H new ATOM 0 HA SER A 32 12.686 4.059 -12.767 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.168 5.331 -13.901 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.557 4.978 -14.909 1.00 0.00 H new ATOM 0 HG SER A 32 10.024 3.238 -14.886 1.00 0.00 H new ATOM 492 N THR A 33 12.017 7.293 -12.663 1.00 0.00 N ATOM 493 CA THR A 33 12.620 8.617 -12.750 1.00 0.00 C ATOM 494 C THR A 33 13.947 8.667 -12.001 1.00 0.00 C ATOM 495 O THR A 33 14.050 8.197 -10.869 1.00 0.00 O ATOM 496 CB THR A 33 11.682 9.699 -12.183 1.00 0.00 C ATOM 497 OG1 THR A 33 11.273 9.347 -10.857 1.00 0.00 O ATOM 498 CG2 THR A 33 10.457 9.872 -13.068 1.00 0.00 C ATOM 0 H THR A 33 11.034 7.294 -12.392 1.00 0.00 H new ATOM 0 HA THR A 33 12.795 8.816 -13.807 1.00 0.00 H new ATOM 0 HB THR A 33 12.227 10.643 -12.156 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.041 8.996 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.810 10.641 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.770 10.169 -14.069 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.912 8.930 -13.123 1.00 0.00 H new ATOM 506 N GLY A 34 14.961 9.242 -12.641 1.00 0.00 N ATOM 507 CA GLY A 34 16.268 9.344 -12.019 1.00 0.00 C ATOM 508 C GLY A 34 16.917 7.990 -11.809 1.00 0.00 C ATOM 509 O GLY A 34 17.480 7.413 -12.739 1.00 0.00 O ATOM 0 H GLY A 34 14.900 9.639 -13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.916 9.962 -12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.171 9.850 -11.059 1.00 0.00 H new ATOM 513 N MET A 35 16.839 7.482 -10.583 1.00 0.00 N ATOM 514 CA MET A 35 17.425 6.188 -10.254 1.00 0.00 C ATOM 515 C MET A 35 16.353 5.212 -9.778 1.00 0.00 C ATOM 516 O MET A 35 15.254 5.617 -9.398 1.00 0.00 O ATOM 517 CB MET A 35 18.499 6.349 -9.177 1.00 0.00 C ATOM 518 CG MET A 35 19.773 7.006 -9.683 1.00 0.00 C ATOM 519 SD MET A 35 19.557 8.762 -10.031 1.00 0.00 S ATOM 520 CE MET A 35 20.797 9.476 -8.952 1.00 0.00 C ATOM 0 H MET A 35 16.376 7.947 -9.802 1.00 0.00 H new ATOM 0 HA MET A 35 17.884 5.785 -11.157 1.00 0.00 H new ATOM 0 HB2 MET A 35 18.094 6.943 -8.358 1.00 0.00 H new ATOM 0 HB3 MET A 35 18.743 5.368 -8.769 1.00 0.00 H new ATOM 0 HG2 MET A 35 20.561 6.881 -8.941 1.00 0.00 H new ATOM 0 HG3 MET A 35 20.104 6.498 -10.589 1.00 0.00 H new ATOM 0 HE1 MET A 35 20.787 10.561 -9.054 1.00 0.00 H new ATOM 0 HE2 MET A 35 20.579 9.206 -7.919 1.00 0.00 H new ATOM 0 HE3 MET A 35 21.781 9.095 -9.226 1.00 0.00 H new ATOM 530 N LYS A 36 16.680 3.924 -9.800 1.00 0.00 N ATOM 531 CA LYS A 36 15.746 2.890 -9.370 1.00 0.00 C ATOM 532 C LYS A 36 15.828 2.677 -7.862 1.00 0.00 C ATOM 533 O LYS A 36 15.947 1.545 -7.390 1.00 0.00 O ATOM 534 CB LYS A 36 16.038 1.576 -10.098 1.00 0.00 C ATOM 535 CG LYS A 36 15.771 1.636 -11.592 1.00 0.00 C ATOM 536 CD LYS A 36 14.287 1.775 -11.887 1.00 0.00 C ATOM 537 CE LYS A 36 13.920 1.131 -13.216 1.00 0.00 C ATOM 538 NZ LYS A 36 13.592 -0.313 -13.061 1.00 0.00 N ATOM 0 H LYS A 36 17.585 3.571 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 36 14.737 3.220 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 17.081 1.304 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.429 0.785 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.310 2.479 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.155 0.734 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.711 1.312 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.016 2.831 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.067 1.653 -13.649 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.749 1.242 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.347 -0.715 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.415 -0.816 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.784 -0.418 -12.414 1.00 0.00 H new ATOM 552 N LEU A 37 15.761 3.770 -7.110 1.00 0.00 N ATOM 553 CA LEU A 37 15.826 3.703 -5.654 1.00 0.00 C ATOM 554 C LEU A 37 14.459 3.374 -5.063 1.00 0.00 C ATOM 555 O LEU A 37 13.441 3.444 -5.752 1.00 0.00 O ATOM 556 CB LEU A 37 16.335 5.028 -5.084 1.00 0.00 C ATOM 557 CG LEU A 37 17.759 5.424 -5.476 1.00 0.00 C ATOM 558 CD1 LEU A 37 18.013 6.888 -5.154 1.00 0.00 C ATOM 559 CD2 LEU A 37 18.773 4.537 -4.768 1.00 0.00 C ATOM 0 H LEU A 37 15.662 4.714 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 37 16.520 2.908 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.658 5.821 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.279 4.978 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 37 17.872 5.284 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.031 7.152 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.308 7.510 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.882 7.053 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.781 4.833 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.660 4.645 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.605 3.497 -5.048 1.00 0.00 H new ATOM 571 N TRP A 38 14.443 3.017 -3.784 1.00 0.00 N ATOM 572 CA TRP A 38 13.201 2.679 -3.100 1.00 0.00 C ATOM 573 C TRP A 38 12.664 3.876 -2.323 1.00 0.00 C ATOM 574 O TRP A 38 13.360 4.446 -1.482 1.00 0.00 O ATOM 575 CB TRP A 38 13.420 1.498 -2.153 1.00 0.00 C ATOM 576 CG TRP A 38 14.060 0.316 -2.816 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.398 0.076 -2.950 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.389 -0.786 -3.437 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.599 -1.108 -3.617 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.383 -1.657 -3.926 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.046 -1.122 -3.627 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.073 -2.840 -4.592 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.741 -2.296 -4.288 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.750 -3.144 -4.763 1.00 0.00 C ATOM 0 H TRP A 38 15.277 2.954 -3.200 1.00 0.00 H new ATOM 0 HA TRP A 38 12.466 2.399 -3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.044 1.821 -1.320 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.461 1.195 -1.734 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.183 0.722 -2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.507 -1.513 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.261 -0.476 -3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.849 -3.494 -4.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.706 -2.565 -4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.478 -4.056 -5.274 1.00 0.00 H new ATOM 595 N LYS A 39 11.423 4.254 -2.609 1.00 0.00 N ATOM 596 CA LYS A 39 10.792 5.383 -1.936 1.00 0.00 C ATOM 597 C LYS A 39 9.784 4.903 -0.897 1.00 0.00 C ATOM 598 O LYS A 39 9.027 3.962 -1.139 1.00 0.00 O ATOM 599 CB LYS A 39 10.097 6.288 -2.957 1.00 0.00 C ATOM 600 CG LYS A 39 11.006 7.356 -3.541 1.00 0.00 C ATOM 601 CD LYS A 39 11.908 6.789 -4.624 1.00 0.00 C ATOM 602 CE LYS A 39 12.870 7.841 -5.155 1.00 0.00 C ATOM 603 NZ LYS A 39 12.197 8.788 -6.086 1.00 0.00 N ATOM 0 H LYS A 39 10.834 3.794 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 39 11.570 5.951 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.705 5.673 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.243 6.770 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.401 8.163 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.616 7.789 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.473 5.947 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.299 6.405 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.299 8.395 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.696 7.351 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.886 9.489 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.810 8.263 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.425 9.275 -5.588 1.00 0.00 H new ATOM 617 N LYS A 40 9.777 5.556 0.260 1.00 0.00 N ATOM 618 CA LYS A 40 8.860 5.199 1.335 1.00 0.00 C ATOM 619 C LYS A 40 7.494 5.844 1.123 1.00 0.00 C ATOM 620 O LYS A 40 7.400 7.029 0.805 1.00 0.00 O ATOM 621 CB LYS A 40 9.434 5.629 2.687 1.00 0.00 C ATOM 622 CG LYS A 40 8.799 4.921 3.871 1.00 0.00 C ATOM 623 CD LYS A 40 9.688 4.984 5.101 1.00 0.00 C ATOM 624 CE LYS A 40 9.004 4.376 6.316 1.00 0.00 C ATOM 625 NZ LYS A 40 9.664 4.785 7.587 1.00 0.00 N ATOM 0 H LYS A 40 10.397 6.336 0.477 1.00 0.00 H new ATOM 0 HA LYS A 40 8.736 4.116 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.507 5.439 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.300 6.705 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.835 5.377 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.607 3.880 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.620 4.455 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.948 6.022 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.958 4.682 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.016 3.289 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.168 4.350 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.655 4.471 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.630 5.820 7.678 1.00 0.00 H new ATOM 639 N ARG A 41 6.438 5.056 1.301 1.00 0.00 N ATOM 640 CA ARG A 41 5.078 5.551 1.129 1.00 0.00 C ATOM 641 C ARG A 41 4.082 4.680 1.889 1.00 0.00 C ATOM 642 O ARG A 41 4.300 3.481 2.066 1.00 0.00 O ATOM 643 CB ARG A 41 4.710 5.587 -0.356 1.00 0.00 C ATOM 644 CG ARG A 41 3.443 6.373 -0.650 1.00 0.00 C ATOM 645 CD ARG A 41 3.717 7.868 -0.712 1.00 0.00 C ATOM 646 NE ARG A 41 4.536 8.227 -1.867 1.00 0.00 N ATOM 647 CZ ARG A 41 4.054 8.355 -3.098 1.00 0.00 C ATOM 648 NH1 ARG A 41 2.765 8.154 -3.333 1.00 0.00 N ATOM 649 NH2 ARG A 41 4.863 8.684 -4.097 1.00 0.00 N ATOM 0 H ARG A 41 6.499 4.072 1.564 1.00 0.00 H new ATOM 0 HA ARG A 41 5.032 6.562 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.537 6.024 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.586 4.566 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.018 6.040 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.700 6.170 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.771 8.408 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.221 8.182 0.202 1.00 0.00 H new ATOM 0 HE ARG A 41 5.532 8.388 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.141 7.900 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.398 8.253 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.855 8.839 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.492 8.782 -5.042 1.00 0.00 H new ATOM 663 N TRP A 42 2.992 5.291 2.337 1.00 0.00 N ATOM 664 CA TRP A 42 1.963 4.571 3.079 1.00 0.00 C ATOM 665 C TRP A 42 1.098 3.737 2.141 1.00 0.00 C ATOM 666 O TRP A 42 0.258 4.270 1.416 1.00 0.00 O ATOM 667 CB TRP A 42 1.088 5.553 3.861 1.00 0.00 C ATOM 668 CG TRP A 42 0.124 4.879 4.790 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.232 5.035 4.818 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.444 3.945 5.827 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.775 4.254 5.810 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.768 3.575 6.443 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.635 3.383 6.294 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.820 2.671 7.500 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.582 2.487 7.344 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.362 2.137 7.937 1.00 0.00 C ATOM 0 H TRP A 42 2.797 6.283 2.200 1.00 0.00 H new ATOM 0 HA TRP A 42 2.459 3.899 3.779 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.729 6.221 4.436 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.531 6.172 3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.795 5.678 4.158 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.767 4.190 6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.580 3.645 5.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.759 2.401 7.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.497 2.049 7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.354 1.432 8.755 1.00 0.00 H new ATOM 687 N PHE A 43 1.309 2.425 2.159 1.00 0.00 N ATOM 688 CA PHE A 43 0.548 1.516 1.309 1.00 0.00 C ATOM 689 C PHE A 43 -0.526 0.789 2.113 1.00 0.00 C ATOM 690 O PHE A 43 -0.298 0.389 3.255 1.00 0.00 O ATOM 691 CB PHE A 43 1.482 0.500 0.648 1.00 0.00 C ATOM 692 CG PHE A 43 2.193 1.037 -0.561 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.418 1.671 -0.437 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.635 0.908 -1.823 1.00 0.00 C ATOM 695 CE1 PHE A 43 4.075 2.166 -1.547 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.287 1.400 -2.938 1.00 0.00 C ATOM 697 CZ PHE A 43 3.508 2.031 -2.800 1.00 0.00 C ATOM 0 H PHE A 43 2.001 1.967 2.753 1.00 0.00 H new ATOM 0 HA PHE A 43 0.059 2.107 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.221 0.170 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.905 -0.378 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.865 1.780 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.680 0.417 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.030 2.658 -1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.842 1.291 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.018 2.418 -3.670 1.00 0.00 H new ATOM 707 N VAL A 44 -1.698 0.622 1.509 1.00 0.00 N ATOM 708 CA VAL A 44 -2.807 -0.057 2.167 1.00 0.00 C ATOM 709 C VAL A 44 -3.422 -1.114 1.257 1.00 0.00 C ATOM 710 O VAL A 44 -3.623 -0.882 0.064 1.00 0.00 O ATOM 711 CB VAL A 44 -3.903 0.939 2.592 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.129 0.199 3.103 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.370 1.898 3.646 1.00 0.00 C ATOM 0 H VAL A 44 -1.904 0.948 0.565 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.400 -0.539 3.056 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.199 1.522 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.892 0.919 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.522 -0.443 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.853 -0.411 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.157 2.595 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.046 1.334 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.525 2.453 3.239 1.00 0.00 H new ATOM 723 N LEU A 45 -3.721 -2.276 1.827 1.00 0.00 N ATOM 724 CA LEU A 45 -4.314 -3.371 1.067 1.00 0.00 C ATOM 725 C LEU A 45 -5.800 -3.509 1.382 1.00 0.00 C ATOM 726 O LEU A 45 -6.178 -4.088 2.400 1.00 0.00 O ATOM 727 CB LEU A 45 -3.592 -4.683 1.377 1.00 0.00 C ATOM 728 CG LEU A 45 -3.559 -5.714 0.248 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.936 -6.328 0.045 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.062 -5.077 -1.042 1.00 0.00 C ATOM 0 H LEU A 45 -3.563 -2.484 2.813 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.205 -3.145 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.565 -4.451 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.067 -5.140 2.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.867 -6.508 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.893 -7.059 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.254 -6.820 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.649 -5.545 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.045 -5.825 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.729 -4.263 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.056 -4.686 -0.891 1.00 0.00 H new ATOM 742 N SER A 46 -6.639 -2.975 0.500 1.00 0.00 N ATOM 743 CA SER A 46 -8.084 -3.037 0.684 1.00 0.00 C ATOM 744 C SER A 46 -8.792 -3.265 -0.648 1.00 0.00 C ATOM 745 O SER A 46 -8.262 -2.938 -1.710 1.00 0.00 O ATOM 746 CB SER A 46 -8.593 -1.747 1.330 1.00 0.00 C ATOM 747 OG SER A 46 -8.741 -0.718 0.367 1.00 0.00 O ATOM 0 H SER A 46 -6.343 -2.494 -0.349 1.00 0.00 H new ATOM 0 HA SER A 46 -8.306 -3.877 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.550 -1.934 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.898 -1.426 2.106 1.00 0.00 H new ATOM 0 HG SER A 46 -9.694 -0.536 0.227 1.00 0.00 H new ATOM 753 N ASP A 47 -9.993 -3.830 -0.583 1.00 0.00 N ATOM 754 CA ASP A 47 -10.776 -4.102 -1.783 1.00 0.00 C ATOM 755 C ASP A 47 -9.906 -4.726 -2.869 1.00 0.00 C ATOM 756 O ASP A 47 -9.839 -4.223 -3.992 1.00 0.00 O ATOM 757 CB ASP A 47 -11.416 -2.814 -2.303 1.00 0.00 C ATOM 758 CG ASP A 47 -12.593 -3.082 -3.220 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.705 -3.321 -2.704 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.403 -3.053 -4.454 1.00 0.00 O ATOM 0 H ASP A 47 -10.445 -4.108 0.288 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.563 -4.809 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.747 -2.210 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.667 -2.230 -2.839 1.00 0.00 H new ATOM 765 N LEU A 48 -9.241 -5.824 -2.529 1.00 0.00 N ATOM 766 CA LEU A 48 -8.373 -6.518 -3.475 1.00 0.00 C ATOM 767 C LEU A 48 -7.661 -5.526 -4.389 1.00 0.00 C ATOM 768 O LEU A 48 -7.517 -5.765 -5.588 1.00 0.00 O ATOM 769 CB LEU A 48 -9.186 -7.507 -4.312 1.00 0.00 C ATOM 770 CG LEU A 48 -9.591 -8.805 -3.611 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.431 -9.356 -2.796 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.807 -8.576 -2.725 1.00 0.00 C ATOM 0 H LEU A 48 -9.286 -6.254 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.621 -7.065 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.091 -7.005 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.608 -7.762 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.854 -9.539 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.738 -10.279 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.587 -9.559 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.136 -8.625 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.081 -9.510 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.571 -7.825 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.641 -8.228 -3.335 1.00 0.00 H new ATOM 784 N CYS A 49 -7.217 -4.414 -3.814 1.00 0.00 N ATOM 785 CA CYS A 49 -6.518 -3.385 -4.577 1.00 0.00 C ATOM 786 C CYS A 49 -5.469 -2.689 -3.717 1.00 0.00 C ATOM 787 O CYS A 49 -5.320 -2.993 -2.533 1.00 0.00 O ATOM 788 CB CYS A 49 -7.514 -2.359 -5.120 1.00 0.00 C ATOM 789 SG CYS A 49 -8.719 -3.043 -6.282 1.00 0.00 S ATOM 0 H CYS A 49 -7.328 -4.201 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.013 -3.868 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.048 -1.908 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.962 -1.559 -5.614 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.628 -3.702 -5.627 1.00 0.00 H new ATOM 795 N LEU A 50 -4.744 -1.753 -4.320 1.00 0.00 N ATOM 796 CA LEU A 50 -3.706 -1.013 -3.609 1.00 0.00 C ATOM 797 C LEU A 50 -4.076 0.461 -3.487 1.00 0.00 C ATOM 798 O LEU A 50 -4.501 1.088 -4.458 1.00 0.00 O ATOM 799 CB LEU A 50 -2.365 -1.157 -4.330 1.00 0.00 C ATOM 800 CG LEU A 50 -1.493 -2.336 -3.898 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.174 -2.330 -4.655 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.249 -2.296 -2.397 1.00 0.00 C ATOM 0 H LEU A 50 -4.855 -1.488 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.618 -1.430 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.558 -1.246 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.797 -0.238 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.020 -3.260 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.433 -3.176 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.368 -2.407 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.359 -1.402 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.627 -3.142 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.743 -1.367 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.203 -2.350 -1.872 1.00 0.00 H new ATOM 814 N PHE A 51 -3.910 1.011 -2.288 1.00 0.00 N ATOM 815 CA PHE A 51 -4.224 2.412 -2.039 1.00 0.00 C ATOM 816 C PHE A 51 -3.147 3.068 -1.180 1.00 0.00 C ATOM 817 O PHE A 51 -2.805 2.570 -0.108 1.00 0.00 O ATOM 818 CB PHE A 51 -5.586 2.537 -1.353 1.00 0.00 C ATOM 819 CG PHE A 51 -6.734 2.090 -2.212 1.00 0.00 C ATOM 820 CD1 PHE A 51 -7.047 2.767 -3.380 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.501 0.994 -1.851 1.00 0.00 C ATOM 822 CE1 PHE A 51 -8.102 2.358 -4.173 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.557 0.580 -2.641 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.859 1.264 -3.802 1.00 0.00 C ATOM 0 H PHE A 51 -3.559 0.507 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.260 2.926 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.578 1.947 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.743 3.576 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.459 3.624 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.271 0.457 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.334 2.893 -5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.145 -0.278 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.686 0.944 -4.419 1.00 0.00 H new ATOM 834 N TYR A 52 -2.616 4.187 -1.660 1.00 0.00 N ATOM 835 CA TYR A 52 -1.575 4.909 -0.939 1.00 0.00 C ATOM 836 C TYR A 52 -1.929 6.388 -0.808 1.00 0.00 C ATOM 837 O TYR A 52 -2.741 6.913 -1.569 1.00 0.00 O ATOM 838 CB TYR A 52 -0.231 4.756 -1.652 1.00 0.00 C ATOM 839 CG TYR A 52 -0.284 5.099 -3.124 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.314 6.421 -3.549 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.304 4.100 -4.090 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.364 6.739 -4.892 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.352 4.408 -5.435 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.382 5.729 -5.832 1.00 0.00 C ATOM 845 OH TYR A 52 -0.431 6.041 -7.171 1.00 0.00 O ATOM 0 H TYR A 52 -2.889 4.614 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.498 4.482 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.504 5.396 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.116 3.729 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.298 7.214 -2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.282 3.065 -3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.389 7.772 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.366 3.619 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.437 5.216 -7.699 1.00 0.00 H new ATOM 855 N TYR A 53 -1.313 7.053 0.163 1.00 0.00 N ATOM 856 CA TYR A 53 -1.563 8.470 0.396 1.00 0.00 C ATOM 857 C TYR A 53 -0.268 9.203 0.736 1.00 0.00 C ATOM 858 O TYR A 53 0.800 8.596 0.812 1.00 0.00 O ATOM 859 CB TYR A 53 -2.576 8.651 1.527 1.00 0.00 C ATOM 860 CG TYR A 53 -3.625 7.563 1.581 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.284 6.259 1.920 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.956 7.839 1.293 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.239 5.262 1.969 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.917 6.848 1.342 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.554 5.561 1.679 1.00 0.00 C ATOM 866 OH TYR A 53 -6.507 4.570 1.729 1.00 0.00 O ATOM 0 H TYR A 53 -0.637 6.633 0.801 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.971 8.896 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.045 8.679 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.071 9.615 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.256 6.021 2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.244 8.845 1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.957 4.253 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.948 7.080 1.117 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.371 4.960 1.977 1.00 0.00 H new ATOM 876 N ARG A 54 -0.373 10.512 0.941 1.00 0.00 N ATOM 877 CA ARG A 54 0.788 11.329 1.273 1.00 0.00 C ATOM 878 C ARG A 54 1.524 10.761 2.483 1.00 0.00 C ATOM 879 O ARG A 54 2.742 10.589 2.456 1.00 0.00 O ATOM 880 CB ARG A 54 0.360 12.771 1.552 1.00 0.00 C ATOM 881 CG ARG A 54 0.183 13.608 0.296 1.00 0.00 C ATOM 882 CD ARG A 54 0.244 15.095 0.605 1.00 0.00 C ATOM 883 NE ARG A 54 0.073 15.911 -0.595 1.00 0.00 N ATOM 884 CZ ARG A 54 -0.351 17.169 -0.574 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.645 17.754 0.580 1.00 0.00 N ATOM 886 NH2 ARG A 54 -0.481 17.846 -1.708 1.00 0.00 N ATOM 0 H ARG A 54 -1.250 11.029 0.883 1.00 0.00 H new ATOM 0 HA ARG A 54 1.466 11.318 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.578 12.762 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.104 13.245 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.960 13.353 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.774 13.371 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.531 15.347 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.202 15.330 1.070 1.00 0.00 H new ATOM 0 HE ARG A 54 0.291 15.491 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.545 17.237 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.971 18.721 0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.255 17.400 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.807 18.812 -1.691 1.00 0.00 H new ATOM 900 N ASP A 55 0.776 10.474 3.543 1.00 0.00 N ATOM 901 CA ASP A 55 1.357 9.926 4.763 1.00 0.00 C ATOM 902 C ASP A 55 0.327 9.108 5.535 1.00 0.00 C ATOM 903 O ASP A 55 -0.800 8.922 5.079 1.00 0.00 O ATOM 904 CB ASP A 55 1.899 11.052 5.646 1.00 0.00 C ATOM 905 CG ASP A 55 3.047 10.596 6.524 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.205 10.646 6.060 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.788 10.189 7.676 1.00 0.00 O ATOM 0 H ASP A 55 -0.234 10.612 3.582 1.00 0.00 H new ATOM 0 HA ASP A 55 2.179 9.268 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.233 11.876 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.095 11.436 6.274 1.00 0.00 H new ATOM 912 N GLU A 56 0.723 8.622 6.707 1.00 0.00 N ATOM 913 CA GLU A 56 -0.166 7.822 7.542 1.00 0.00 C ATOM 914 C GLU A 56 -1.507 8.524 7.737 1.00 0.00 C ATOM 915 O GLU A 56 -2.542 7.877 7.897 1.00 0.00 O ATOM 916 CB GLU A 56 0.482 7.549 8.901 1.00 0.00 C ATOM 917 CG GLU A 56 0.464 8.748 9.835 1.00 0.00 C ATOM 918 CD GLU A 56 -0.780 8.795 10.700 1.00 0.00 C ATOM 919 OE1 GLU A 56 -1.803 8.201 10.302 1.00 0.00 O ATOM 920 OE2 GLU A 56 -0.730 9.427 11.776 1.00 0.00 O ATOM 0 H GLU A 56 1.653 8.768 7.100 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.342 6.873 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.035 6.718 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.514 7.235 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.346 8.719 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.528 9.663 9.246 1.00 0.00 H new ATOM 927 N LYS A 57 -1.480 9.852 7.723 1.00 0.00 N ATOM 928 CA LYS A 57 -2.692 10.644 7.897 1.00 0.00 C ATOM 929 C LYS A 57 -3.803 10.149 6.977 1.00 0.00 C ATOM 930 O LYS A 57 -4.979 10.427 7.205 1.00 0.00 O ATOM 931 CB LYS A 57 -2.404 12.121 7.618 1.00 0.00 C ATOM 932 CG LYS A 57 -1.107 12.616 8.233 1.00 0.00 C ATOM 933 CD LYS A 57 -1.155 14.108 8.514 1.00 0.00 C ATOM 934 CE LYS A 57 0.235 14.724 8.495 1.00 0.00 C ATOM 935 NZ LYS A 57 0.867 14.709 9.843 1.00 0.00 N ATOM 0 H LYS A 57 -0.632 10.403 7.593 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.024 10.533 8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.368 12.278 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.230 12.722 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.914 12.077 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.278 12.399 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.782 14.599 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.618 14.282 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.865 14.178 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.172 15.751 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.813 15.137 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.280 15.252 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.951 13.727 10.176 1.00 0.00 H new ATOM 949 N GLU A 58 -3.421 9.413 5.938 1.00 0.00 N ATOM 950 CA GLU A 58 -4.386 8.878 4.985 1.00 0.00 C ATOM 951 C GLU A 58 -5.370 9.958 4.544 1.00 0.00 C ATOM 952 O GLU A 58 -6.584 9.760 4.585 1.00 0.00 O ATOM 953 CB GLU A 58 -5.146 7.701 5.600 1.00 0.00 C ATOM 954 CG GLU A 58 -4.281 6.473 5.832 1.00 0.00 C ATOM 955 CD GLU A 58 -4.829 5.571 6.921 1.00 0.00 C ATOM 956 OE1 GLU A 58 -4.952 6.037 8.072 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.136 4.398 6.619 1.00 0.00 O ATOM 0 H GLU A 58 -2.450 9.174 5.735 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.838 8.529 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.579 8.015 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.975 7.433 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.202 5.908 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.273 6.789 6.100 1.00 0.00 H new ATOM 964 N GLU A 59 -4.837 11.101 4.124 1.00 0.00 N ATOM 965 CA GLU A 59 -5.668 12.212 3.677 1.00 0.00 C ATOM 966 C GLU A 59 -5.654 12.324 2.155 1.00 0.00 C ATOM 967 O GLU A 59 -4.676 12.779 1.563 1.00 0.00 O ATOM 968 CB GLU A 59 -5.183 13.523 4.300 1.00 0.00 C ATOM 969 CG GLU A 59 -5.647 13.724 5.732 1.00 0.00 C ATOM 970 CD GLU A 59 -5.633 15.182 6.151 1.00 0.00 C ATOM 971 OE1 GLU A 59 -6.007 16.039 5.324 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.248 15.464 7.305 1.00 0.00 O ATOM 0 H GLU A 59 -3.834 11.282 4.084 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.691 12.020 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.094 13.547 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.535 14.357 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.657 13.328 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.005 13.151 6.402 1.00 0.00 H new ATOM 979 N GLY A 60 -6.749 11.905 1.527 1.00 0.00 N ATOM 980 CA GLY A 60 -6.843 11.965 0.080 1.00 0.00 C ATOM 981 C GLY A 60 -5.813 11.089 -0.605 1.00 0.00 C ATOM 982 O GLY A 60 -4.612 11.232 -0.371 1.00 0.00 O ATOM 0 H GLY A 60 -7.572 11.525 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.841 11.656 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.713 12.997 -0.247 1.00 0.00 H new ATOM 986 N ILE A 61 -6.282 10.178 -1.452 1.00 0.00 N ATOM 987 CA ILE A 61 -5.393 9.275 -2.172 1.00 0.00 C ATOM 988 C ILE A 61 -4.739 9.977 -3.357 1.00 0.00 C ATOM 989 O ILE A 61 -5.403 10.682 -4.119 1.00 0.00 O ATOM 990 CB ILE A 61 -6.144 8.030 -2.677 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.655 7.201 -1.496 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.240 7.191 -3.568 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.667 6.148 -1.890 1.00 0.00 C ATOM 0 H ILE A 61 -7.273 10.046 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.622 8.963 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.001 8.356 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.809 6.716 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.105 7.869 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.785 6.314 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.921 7.785 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.365 6.872 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.985 5.599 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.531 6.628 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.215 5.457 -2.602 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.435 9.778 -3.510 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.690 10.390 -4.605 1.00 0.00 C ATOM 1007 C LEU A 62 -2.751 9.521 -5.857 1.00 0.00 C ATOM 1008 O LEU A 62 -2.443 9.978 -6.957 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.233 10.613 -4.195 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.985 10.859 -2.706 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.465 11.249 -2.464 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.923 11.935 -2.180 1.00 0.00 C ATOM 0 H LEU A 62 -2.871 9.197 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.149 11.353 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.653 9.742 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.846 11.465 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.186 9.934 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.623 11.420 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.119 10.446 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.693 12.161 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.732 12.097 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.753 12.864 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.956 11.616 -2.319 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.151 8.266 -5.681 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.247 7.353 -6.806 1.00 0.00 C ATOM 1026 C GLY A 63 -3.539 5.930 -6.374 1.00 0.00 C ATOM 1027 O GLY A 63 -2.965 5.439 -5.402 1.00 0.00 O ATOM 0 H GLY A 63 -3.410 7.865 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.033 7.693 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.313 7.375 -7.368 1.00 0.00 H new ATOM 1031 N SER A 64 -4.435 5.266 -7.097 1.00 0.00 N ATOM 1032 CA SER A 64 -4.806 3.892 -6.781 1.00 0.00 C ATOM 1033 C SER A 64 -4.163 2.915 -7.761 1.00 0.00 C ATOM 1034 O SER A 64 -3.993 3.225 -8.940 1.00 0.00 O ATOM 1035 CB SER A 64 -6.328 3.733 -6.809 1.00 0.00 C ATOM 1036 OG SER A 64 -6.879 4.314 -7.978 1.00 0.00 O ATOM 0 H SER A 64 -4.918 5.658 -7.906 1.00 0.00 H new ATOM 0 HA SER A 64 -4.442 3.665 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.587 2.675 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.762 4.202 -5.926 1.00 0.00 H new ATOM 0 HG SER A 64 -7.246 5.197 -7.763 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.808 1.735 -7.263 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.185 0.713 -8.094 1.00 0.00 C ATOM 1044 C ILE A 65 -4.016 -0.565 -8.110 1.00 0.00 C ATOM 1045 O ILE A 65 -4.338 -1.122 -7.059 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.762 0.381 -7.606 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.790 1.492 -8.006 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.307 -0.957 -8.171 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.501 1.479 -7.218 1.00 0.00 C ATOM 0 H ILE A 65 -3.941 1.464 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.129 1.119 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.774 0.309 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.559 1.397 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.279 2.457 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.300 -1.178 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.988 -1.742 -7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.307 -0.911 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.141 2.294 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.281 1.605 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.012 0.529 -7.372 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.360 -1.027 -9.307 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.153 -2.242 -9.460 1.00 0.00 C ATOM 1063 C LEU A 66 -4.262 -3.480 -9.441 1.00 0.00 C ATOM 1064 O LEU A 66 -3.490 -3.716 -10.372 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.950 -2.193 -10.765 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.356 -1.599 -10.671 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.244 -2.467 -9.792 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.299 -0.176 -10.135 1.00 0.00 C ATOM 0 H LEU A 66 -4.102 -0.579 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.845 -2.303 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.381 -1.615 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.031 -3.207 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.786 -1.572 -11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.241 -2.029 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.311 -3.468 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.818 -2.527 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.308 0.231 -10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.849 -0.179 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.698 0.441 -10.804 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.375 -4.267 -8.377 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.581 -5.483 -8.238 1.00 0.00 C ATOM 1082 C LEU A 67 -4.010 -6.534 -9.257 1.00 0.00 C ATOM 1083 O LEU A 67 -3.186 -7.191 -9.893 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.716 -6.045 -6.822 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.689 -5.550 -5.802 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.946 -6.174 -4.440 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.277 -5.861 -6.275 1.00 0.00 C ATOM 0 H LEU A 67 -5.008 -4.085 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.538 -5.228 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.712 -5.804 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.650 -7.132 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.790 -4.469 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.206 -5.810 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.944 -5.901 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.873 -7.259 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.559 -5.502 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.163 -6.938 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.096 -5.366 -7.229 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.332 -6.696 -9.419 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.901 -7.663 -10.362 1.00 0.00 C ATOM 1101 C PRO A 68 -5.253 -7.579 -11.740 1.00 0.00 C ATOM 1102 O PRO A 68 -5.217 -8.562 -12.480 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.375 -7.258 -10.439 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.652 -6.586 -9.139 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.372 -5.946 -8.695 1.00 0.00 C ATOM 0 HA PRO A 68 -5.744 -8.691 -10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.558 -6.587 -11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.017 -8.127 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.438 -5.839 -9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.000 -7.307 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.348 -4.885 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.241 -6.022 -7.616 1.00 0.00 H new ATOM 1113 N SER A 69 -4.742 -6.400 -12.078 1.00 0.00 N ATOM 1114 CA SER A 69 -4.098 -6.188 -13.369 1.00 0.00 C ATOM 1115 C SER A 69 -2.602 -6.476 -13.284 1.00 0.00 C ATOM 1116 O SER A 69 -1.960 -6.784 -14.288 1.00 0.00 O ATOM 1117 CB SER A 69 -4.326 -4.752 -13.847 1.00 0.00 C ATOM 1118 OG SER A 69 -4.224 -4.662 -15.257 1.00 0.00 O ATOM 0 H SER A 69 -4.761 -5.577 -11.476 1.00 0.00 H new ATOM 0 HA SER A 69 -4.543 -6.877 -14.087 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.311 -4.411 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.594 -4.090 -13.383 1.00 0.00 H new ATOM 0 HG SER A 69 -3.426 -4.145 -15.495 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.054 -6.373 -12.078 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.633 -6.621 -11.860 1.00 0.00 C ATOM 1126 C PHE A 70 -0.360 -8.114 -11.705 1.00 0.00 C ATOM 1127 O PHE A 70 -1.261 -8.890 -11.388 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.147 -5.870 -10.619 1.00 0.00 C ATOM 1129 CG PHE A 70 0.351 -4.484 -10.914 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.532 -4.293 -11.614 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.361 -3.373 -10.492 1.00 0.00 C ATOM 1132 CE1 PHE A 70 1.993 -3.018 -11.886 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.096 -2.096 -10.762 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.274 -1.919 -11.461 1.00 0.00 C ATOM 0 H PHE A 70 -2.572 -6.120 -11.237 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.088 -6.258 -12.731 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.963 -5.809 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.652 -6.442 -10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.098 -5.149 -11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.283 -3.506 -9.946 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.916 -2.882 -12.431 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.468 -1.238 -10.427 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.632 -0.923 -11.675 1.00 0.00 H new ATOM 1144 N GLN A 71 0.889 -8.507 -11.931 1.00 0.00 N ATOM 1145 CA GLN A 71 1.282 -9.907 -11.817 1.00 0.00 C ATOM 1146 C GLN A 71 2.413 -10.075 -10.808 1.00 0.00 C ATOM 1147 O GLN A 71 3.557 -9.707 -11.077 1.00 0.00 O ATOM 1148 CB GLN A 71 1.714 -10.450 -13.180 1.00 0.00 C ATOM 1149 CG GLN A 71 2.731 -11.576 -13.092 1.00 0.00 C ATOM 1150 CD GLN A 71 2.849 -12.358 -14.385 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.803 -11.787 -15.476 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.004 -13.672 -14.271 1.00 0.00 N ATOM 0 H GLN A 71 1.646 -7.876 -12.194 1.00 0.00 H new ATOM 0 HA GLN A 71 0.419 -10.473 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.834 -10.807 -13.715 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.136 -9.636 -13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.705 -11.161 -12.833 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.448 -12.254 -12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.037 -14.103 -13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.090 -14.250 -15.107 1.00 0.00 H new ATOM 1161 N ILE A 72 2.085 -10.632 -9.647 1.00 0.00 N ATOM 1162 CA ILE A 72 3.074 -10.849 -8.598 1.00 0.00 C ATOM 1163 C ILE A 72 3.902 -12.099 -8.874 1.00 0.00 C ATOM 1164 O ILE A 72 3.374 -13.210 -8.914 1.00 0.00 O ATOM 1165 CB ILE A 72 2.408 -10.983 -7.216 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.184 -10.070 -7.125 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.404 -10.653 -6.114 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.473 -8.632 -7.494 1.00 0.00 C ATOM 0 H ILE A 72 1.143 -10.941 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 72 3.727 -9.977 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 72 2.080 -12.014 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.404 -10.455 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.791 -10.104 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.919 -10.752 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.249 -11.340 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.759 -9.630 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.560 -8.043 -7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.230 -8.229 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.838 -8.586 -8.520 1.00 0.00 H new ATOM 1180 N ALA A 73 5.204 -11.910 -9.062 1.00 0.00 N ATOM 1181 CA ALA A 73 6.107 -13.022 -9.330 1.00 0.00 C ATOM 1182 C ALA A 73 7.495 -12.753 -8.759 1.00 0.00 C ATOM 1183 O ALA A 73 8.037 -11.658 -8.908 1.00 0.00 O ATOM 1184 CB ALA A 73 6.192 -13.284 -10.827 1.00 0.00 C ATOM 0 H ALA A 73 5.657 -10.997 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 73 5.707 -13.909 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.870 -14.117 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.202 -13.530 -11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.565 -12.393 -11.332 1.00 0.00 H new ATOM 1190 N LEU A 74 8.064 -13.759 -8.103 1.00 0.00 N ATOM 1191 CA LEU A 74 9.390 -13.630 -7.507 1.00 0.00 C ATOM 1192 C LEU A 74 10.403 -13.137 -8.535 1.00 0.00 C ATOM 1193 O LEU A 74 10.343 -13.506 -9.709 1.00 0.00 O ATOM 1194 CB LEU A 74 9.844 -14.972 -6.931 1.00 0.00 C ATOM 1195 CG LEU A 74 9.453 -15.245 -5.478 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.335 -14.449 -4.529 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.985 -14.914 -5.249 1.00 0.00 C ATOM 0 H LEU A 74 7.629 -14.672 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 74 9.330 -12.897 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.435 -15.769 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.929 -15.031 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 74 9.601 -16.306 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.042 -14.656 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.377 -14.735 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.220 -13.384 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.725 -15.114 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.811 -13.861 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.367 -15.529 -5.903 1.00 0.00 H new ATOM 1209 N LEU A 75 11.335 -12.303 -8.087 1.00 0.00 N ATOM 1210 CA LEU A 75 12.364 -11.760 -8.967 1.00 0.00 C ATOM 1211 C LEU A 75 13.128 -12.880 -9.666 1.00 0.00 C ATOM 1212 O LEU A 75 12.899 -14.061 -9.404 1.00 0.00 O ATOM 1213 CB LEU A 75 13.333 -10.885 -8.172 1.00 0.00 C ATOM 1214 CG LEU A 75 12.709 -9.718 -7.405 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.745 -9.050 -6.514 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.102 -8.710 -8.369 1.00 0.00 C ATOM 0 H LEU A 75 11.399 -11.988 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 75 11.874 -11.150 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.864 -11.519 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.078 -10.485 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 75 11.913 -10.109 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.283 -8.222 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.132 -9.776 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.563 -8.673 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.663 -7.887 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.879 -8.324 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.329 -9.196 -8.964 1.00 0.00 H new ATOM 1228 N THR A 76 14.041 -12.501 -10.556 1.00 0.00 N ATOM 1229 CA THR A 76 14.840 -13.472 -11.291 1.00 0.00 C ATOM 1230 C THR A 76 16.083 -12.822 -11.889 1.00 0.00 C ATOM 1231 O THR A 76 16.160 -11.599 -12.005 1.00 0.00 O ATOM 1232 CB THR A 76 14.026 -14.130 -12.421 1.00 0.00 C ATOM 1233 OG1 THR A 76 14.829 -15.099 -13.104 1.00 0.00 O ATOM 1234 CG2 THR A 76 13.531 -13.086 -13.410 1.00 0.00 C ATOM 0 H THR A 76 14.245 -11.528 -10.784 1.00 0.00 H new ATOM 0 HA THR A 76 15.141 -14.238 -10.576 1.00 0.00 H new ATOM 0 HB THR A 76 13.162 -14.624 -11.976 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.303 -15.514 -13.820 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.959 -13.574 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.895 -12.367 -12.893 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.383 -12.567 -13.848 1.00 0.00 H new ATOM 1242 N SER A 77 17.054 -13.647 -12.267 1.00 0.00 N ATOM 1243 CA SER A 77 18.295 -13.151 -12.850 1.00 0.00 C ATOM 1244 C SER A 77 18.037 -11.914 -13.705 1.00 0.00 C ATOM 1245 O SER A 77 18.725 -10.903 -13.574 1.00 0.00 O ATOM 1246 CB SER A 77 18.956 -14.241 -13.696 1.00 0.00 C ATOM 1247 OG SER A 77 20.218 -13.815 -14.181 1.00 0.00 O ATOM 0 H SER A 77 17.005 -14.662 -12.180 1.00 0.00 H new ATOM 0 HA SER A 77 18.966 -12.875 -12.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.078 -15.145 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.308 -14.498 -14.534 1.00 0.00 H new ATOM 0 HG SER A 77 20.621 -14.530 -14.717 1.00 0.00 H new ATOM 1253 N GLU A 78 17.040 -12.004 -14.580 1.00 0.00 N ATOM 1254 CA GLU A 78 16.692 -10.892 -15.457 1.00 0.00 C ATOM 1255 C GLU A 78 16.733 -9.568 -14.700 1.00 0.00 C ATOM 1256 O GLU A 78 17.333 -8.596 -15.159 1.00 0.00 O ATOM 1257 CB GLU A 78 15.302 -11.105 -16.059 1.00 0.00 C ATOM 1258 CG GLU A 78 15.300 -12.000 -17.287 1.00 0.00 C ATOM 1259 CD GLU A 78 15.802 -11.288 -18.528 1.00 0.00 C ATOM 1260 OE1 GLU A 78 17.017 -11.007 -18.600 1.00 0.00 O ATOM 1261 OE2 GLU A 78 14.981 -11.013 -19.428 1.00 0.00 O ATOM 0 H GLU A 78 16.460 -12.834 -14.700 1.00 0.00 H new ATOM 0 HA GLU A 78 17.427 -10.853 -16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.650 -11.541 -15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.878 -10.137 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.924 -12.873 -17.096 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.288 -12.364 -17.465 1.00 0.00 H new ATOM 1268 N ASP A 79 16.091 -9.538 -13.537 1.00 0.00 N ATOM 1269 CA ASP A 79 16.054 -8.335 -12.715 1.00 0.00 C ATOM 1270 C ASP A 79 17.464 -7.842 -12.408 1.00 0.00 C ATOM 1271 O ASP A 79 18.344 -8.627 -12.052 1.00 0.00 O ATOM 1272 CB ASP A 79 15.300 -8.605 -11.411 1.00 0.00 C ATOM 1273 CG ASP A 79 16.193 -9.197 -10.339 1.00 0.00 C ATOM 1274 OD1 ASP A 79 17.117 -8.493 -9.880 1.00 0.00 O ATOM 1275 OD2 ASP A 79 15.967 -10.365 -9.958 1.00 0.00 O ATOM 0 H ASP A 79 15.589 -10.334 -13.143 1.00 0.00 H new ATOM 0 HA ASP A 79 15.531 -7.559 -13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.867 -7.674 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.472 -9.286 -11.608 1.00 0.00 H new ATOM 1280 N HIS A 80 17.674 -6.537 -12.550 1.00 0.00 N ATOM 1281 CA HIS A 80 18.979 -5.940 -12.289 1.00 0.00 C ATOM 1282 C HIS A 80 19.072 -5.447 -10.848 1.00 0.00 C ATOM 1283 O HIS A 80 19.784 -4.486 -10.556 1.00 0.00 O ATOM 1284 CB HIS A 80 19.235 -4.781 -13.254 1.00 0.00 C ATOM 1285 CG HIS A 80 19.031 -5.143 -14.693 1.00 0.00 C ATOM 1286 ND1 HIS A 80 18.651 -4.229 -15.652 1.00 0.00 N ATOM 1287 CD2 HIS A 80 19.157 -6.329 -15.334 1.00 0.00 C ATOM 1288 CE1 HIS A 80 18.551 -4.836 -16.821 1.00 0.00 C ATOM 1289 NE2 HIS A 80 18.854 -6.111 -16.655 1.00 0.00 N ATOM 0 H HIS A 80 16.958 -5.873 -12.844 1.00 0.00 H new ATOM 0 HA HIS A 80 19.739 -6.706 -12.443 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.573 -3.954 -12.999 1.00 0.00 H new ATOM 0 HB3 HIS A 80 20.256 -4.425 -13.119 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.443 -7.271 -14.889 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.270 -4.369 -17.753 1.00 0.00 H new ATOM 0 HE2 HIS A 80 18.862 -6.819 -17.389 1.00 0.00 H new ATOM 1298 N ILE A 81 18.349 -6.112 -9.953 1.00 0.00 N ATOM 1299 CA ILE A 81 18.352 -5.742 -8.543 1.00 0.00 C ATOM 1300 C ILE A 81 18.935 -6.858 -7.683 1.00 0.00 C ATOM 1301 O ILE A 81 18.386 -7.956 -7.618 1.00 0.00 O ATOM 1302 CB ILE A 81 16.932 -5.414 -8.045 1.00 0.00 C ATOM 1303 CG1 ILE A 81 16.221 -4.490 -9.035 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.989 -4.777 -6.664 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.713 -4.517 -8.913 1.00 0.00 C ATOM 0 H ILE A 81 17.754 -6.909 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 81 18.975 -4.853 -8.451 1.00 0.00 H new ATOM 0 HB ILE A 81 16.365 -6.342 -7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.571 -3.469 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 81 16.500 -4.774 -10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.978 -4.551 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.460 -5.467 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.570 -3.856 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 81 14.276 -3.838 -9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.351 -5.529 -9.095 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.423 -4.203 -7.910 1.00 0.00 H new ATOM 1317 N ASN A 82 20.052 -6.566 -7.023 1.00 0.00 N ATOM 1318 CA ASN A 82 20.710 -7.545 -6.165 1.00 0.00 C ATOM 1319 C ASN A 82 20.122 -7.516 -4.757 1.00 0.00 C ATOM 1320 O ASN A 82 20.832 -7.723 -3.773 1.00 0.00 O ATOM 1321 CB ASN A 82 22.214 -7.273 -6.107 1.00 0.00 C ATOM 1322 CG ASN A 82 23.002 -8.481 -5.638 1.00 0.00 C ATOM 1323 OD1 ASN A 82 22.437 -9.546 -5.390 1.00 0.00 O ATOM 1324 ND2 ASN A 82 24.314 -8.319 -5.514 1.00 0.00 N ATOM 0 H ASN A 82 20.520 -5.661 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 82 20.542 -8.535 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 82 22.565 -6.975 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 82 22.403 -6.436 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 82 24.897 -9.096 -5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 82 24.739 -7.418 -5.731 1.00 0.00 H new ATOM 1331 N ARG A 83 18.821 -7.258 -4.670 1.00 0.00 N ATOM 1332 CA ARG A 83 18.138 -7.202 -3.383 1.00 0.00 C ATOM 1333 C ARG A 83 17.398 -8.507 -3.103 1.00 0.00 C ATOM 1334 O ARG A 83 17.051 -9.247 -4.024 1.00 0.00 O ATOM 1335 CB ARG A 83 17.155 -6.030 -3.354 1.00 0.00 C ATOM 1336 CG ARG A 83 17.814 -4.690 -3.069 1.00 0.00 C ATOM 1337 CD ARG A 83 17.859 -4.398 -1.577 1.00 0.00 C ATOM 1338 NE ARG A 83 17.839 -2.964 -1.299 1.00 0.00 N ATOM 1339 CZ ARG A 83 17.415 -2.444 -0.153 1.00 0.00 C ATOM 1340 NH1 ARG A 83 16.979 -3.235 0.817 1.00 0.00 N ATOM 1341 NH2 ARG A 83 17.428 -1.129 0.025 1.00 0.00 N ATOM 0 H ARG A 83 18.219 -7.085 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 83 18.890 -7.057 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.639 -5.975 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.397 -6.221 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 83 18.827 -4.688 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.266 -3.898 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.009 -4.874 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 83 18.760 -4.838 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 83 18.169 -2.327 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.968 -4.246 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.654 -2.832 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.764 -0.517 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.102 -0.730 0.905 1.00 0.00 H new ATOM 1355 N LYS A 84 17.159 -8.783 -1.826 1.00 0.00 N ATOM 1356 CA LYS A 84 16.460 -9.998 -1.423 1.00 0.00 C ATOM 1357 C LYS A 84 15.150 -9.662 -0.717 1.00 0.00 C ATOM 1358 O LYS A 84 14.843 -8.494 -0.479 1.00 0.00 O ATOM 1359 CB LYS A 84 17.347 -10.839 -0.502 1.00 0.00 C ATOM 1360 CG LYS A 84 18.684 -11.212 -1.118 1.00 0.00 C ATOM 1361 CD LYS A 84 19.755 -11.398 -0.057 1.00 0.00 C ATOM 1362 CE LYS A 84 19.712 -12.797 0.539 1.00 0.00 C ATOM 1363 NZ LYS A 84 20.492 -12.886 1.804 1.00 0.00 N ATOM 0 H LYS A 84 17.439 -8.181 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 84 16.232 -10.572 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.523 -10.287 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.814 -11.751 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.577 -12.132 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.994 -10.434 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.737 -11.218 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.618 -10.660 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.676 -13.078 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.108 -13.511 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 20.437 -13.855 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.486 -12.642 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.098 -12.223 2.502 1.00 0.00 H new ATOM 1377 N TYR A 85 14.382 -10.694 -0.385 1.00 0.00 N ATOM 1378 CA TYR A 85 13.104 -10.508 0.293 1.00 0.00 C ATOM 1379 C TYR A 85 12.257 -9.458 -0.420 1.00 0.00 C ATOM 1380 O TYR A 85 11.514 -8.710 0.213 1.00 0.00 O ATOM 1381 CB TYR A 85 13.330 -10.095 1.748 1.00 0.00 C ATOM 1382 CG TYR A 85 14.181 -11.071 2.529 1.00 0.00 C ATOM 1383 CD1 TYR A 85 13.608 -12.155 3.182 1.00 0.00 C ATOM 1384 CD2 TYR A 85 15.558 -10.908 2.614 1.00 0.00 C ATOM 1385 CE1 TYR A 85 14.382 -13.049 3.897 1.00 0.00 C ATOM 1386 CE2 TYR A 85 16.340 -11.797 3.326 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.748 -12.865 3.966 1.00 0.00 C ATOM 1388 OH TYR A 85 16.522 -13.753 4.676 1.00 0.00 O ATOM 0 H TYR A 85 14.622 -11.667 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 85 12.568 -11.457 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.805 -9.114 1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.364 -9.992 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.539 -12.302 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.025 -10.072 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.921 -13.887 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 85 17.409 -11.656 3.381 1.00 0.00 H new ATOM 0 HH TYR A 85 17.462 -13.482 4.624 1.00 0.00 H new ATOM 1398 N ALA A 86 12.375 -9.411 -1.743 1.00 0.00 N ATOM 1399 CA ALA A 86 11.619 -8.456 -2.544 1.00 0.00 C ATOM 1400 C ALA A 86 10.950 -9.142 -3.730 1.00 0.00 C ATOM 1401 O ALA A 86 11.288 -10.274 -4.076 1.00 0.00 O ATOM 1402 CB ALA A 86 12.528 -7.334 -3.024 1.00 0.00 C ATOM 0 H ALA A 86 12.987 -10.023 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 86 10.836 -8.031 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.951 -6.628 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.954 -6.818 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.331 -7.751 -3.632 1.00 0.00 H new ATOM 1408 N PHE A 87 9.999 -8.450 -4.348 1.00 0.00 N ATOM 1409 CA PHE A 87 9.280 -8.993 -5.495 1.00 0.00 C ATOM 1410 C PHE A 87 9.002 -7.906 -6.528 1.00 0.00 C ATOM 1411 O PHE A 87 9.402 -6.754 -6.357 1.00 0.00 O ATOM 1412 CB PHE A 87 7.965 -9.632 -5.043 1.00 0.00 C ATOM 1413 CG PHE A 87 7.248 -8.844 -3.985 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.683 -8.871 -2.669 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.140 -8.077 -4.305 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.025 -8.146 -1.692 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.479 -7.351 -3.333 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.921 -7.386 -2.025 1.00 0.00 C ATOM 0 H PHE A 87 9.708 -7.512 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 87 9.907 -9.756 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.310 -9.745 -5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.169 -10.633 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.545 -9.465 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.789 -8.046 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.374 -8.174 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.617 -6.756 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.404 -6.820 -1.264 1.00 0.00 H new ATOM 1428 N LYS A 88 8.314 -8.280 -7.601 1.00 0.00 N ATOM 1429 CA LYS A 88 7.980 -7.338 -8.663 1.00 0.00 C ATOM 1430 C LYS A 88 6.595 -7.627 -9.231 1.00 0.00 C ATOM 1431 O LYS A 88 6.116 -8.760 -9.177 1.00 0.00 O ATOM 1432 CB LYS A 88 9.025 -7.405 -9.779 1.00 0.00 C ATOM 1433 CG LYS A 88 8.950 -8.677 -10.607 1.00 0.00 C ATOM 1434 CD LYS A 88 9.648 -8.512 -11.947 1.00 0.00 C ATOM 1435 CE LYS A 88 9.510 -9.761 -12.804 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.620 -10.725 -12.563 1.00 0.00 N ATOM 0 H LYS A 88 7.976 -9.230 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 88 7.976 -6.335 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.898 -6.545 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.019 -7.326 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.408 -9.498 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.906 -8.945 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.225 -7.658 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.704 -8.296 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.557 -10.244 -12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.496 -9.479 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.490 -11.562 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.528 -10.273 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.618 -11.014 -11.564 1.00 0.00 H new ATOM 1450 N ALA A 89 5.957 -6.597 -9.776 1.00 0.00 N ATOM 1451 CA ALA A 89 4.628 -6.742 -10.357 1.00 0.00 C ATOM 1452 C ALA A 89 4.595 -6.219 -11.790 1.00 0.00 C ATOM 1453 O ALA A 89 4.918 -5.059 -12.045 1.00 0.00 O ATOM 1454 CB ALA A 89 3.597 -6.016 -9.505 1.00 0.00 C ATOM 0 H ALA A 89 6.339 -5.653 -9.827 1.00 0.00 H new ATOM 0 HA ALA A 89 4.382 -7.804 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.609 -6.133 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.594 -6.438 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.849 -4.957 -9.453 1.00 0.00 H new ATOM 1460 N ALA A 90 4.203 -7.083 -12.721 1.00 0.00 N ATOM 1461 CA ALA A 90 4.127 -6.708 -14.127 1.00 0.00 C ATOM 1462 C ALA A 90 2.729 -6.219 -14.490 1.00 0.00 C ATOM 1463 O ALA A 90 1.734 -6.686 -13.936 1.00 0.00 O ATOM 1464 CB ALA A 90 4.523 -7.883 -15.009 1.00 0.00 C ATOM 0 H ALA A 90 3.933 -8.047 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 90 4.826 -5.889 -14.297 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.462 -7.588 -16.057 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.544 -8.185 -14.776 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.847 -8.719 -14.827 1.00 0.00 H new ATOM 1470 N HIS A 91 2.661 -5.274 -15.423 1.00 0.00 N ATOM 1471 CA HIS A 91 1.384 -4.721 -15.860 1.00 0.00 C ATOM 1472 C HIS A 91 1.369 -4.518 -17.372 1.00 0.00 C ATOM 1473 O HIS A 91 2.353 -4.091 -17.975 1.00 0.00 O ATOM 1474 CB HIS A 91 1.110 -3.394 -15.152 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.332 -2.989 -15.176 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.933 -2.412 -16.274 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.293 -3.083 -14.228 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.202 -2.166 -16.000 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.446 -2.564 -14.765 1.00 0.00 N ATOM 0 H HIS A 91 3.475 -4.876 -15.891 1.00 0.00 H new ATOM 0 HA HIS A 91 0.600 -5.432 -15.599 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.441 -3.469 -14.116 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.707 -2.611 -15.621 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.175 -3.490 -13.235 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.918 -1.716 -16.672 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.345 -2.497 -14.287 1.00 0.00 H new ATOM 1488 N PRO A 92 0.226 -4.831 -18.000 1.00 0.00 N ATOM 1489 CA PRO A 92 0.055 -4.691 -19.449 1.00 0.00 C ATOM 1490 C PRO A 92 -0.071 -3.233 -19.880 1.00 0.00 C ATOM 1491 O PRO A 92 0.608 -2.789 -20.804 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.248 -5.445 -19.727 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.015 -5.358 -18.453 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.988 -5.345 -17.344 1.00 0.00 C ATOM 0 HA PRO A 92 0.913 -5.077 -20.000 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.799 -4.993 -20.552 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.054 -6.482 -20.003 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.627 -4.456 -18.428 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.692 -6.206 -18.347 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.298 -4.705 -16.518 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.830 -6.342 -16.933 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.944 -2.495 -19.203 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.159 -1.086 -19.516 1.00 0.00 C ATOM 1504 C ASN A 93 -0.241 -0.198 -18.683 1.00 0.00 C ATOM 1505 O ASN A 93 -0.456 1.010 -18.579 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.620 -0.704 -19.269 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.090 0.407 -20.187 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.934 0.328 -21.406 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.670 1.450 -19.605 1.00 0.00 N ATOM 0 H ASN A 93 -1.514 -2.848 -18.434 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.924 -0.933 -20.569 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.251 -1.581 -19.412 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.740 -0.390 -18.232 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.007 2.228 -20.172 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.778 1.473 -18.591 1.00 0.00 H new ATOM 1516 N MET A 94 0.783 -0.804 -18.091 1.00 0.00 N ATOM 1517 CA MET A 94 1.735 -0.067 -17.268 1.00 0.00 C ATOM 1518 C MET A 94 3.092 -0.765 -17.250 1.00 0.00 C ATOM 1519 O MET A 94 3.299 -1.758 -17.946 1.00 0.00 O ATOM 1520 CB MET A 94 1.204 0.078 -15.841 1.00 0.00 C ATOM 1521 CG MET A 94 0.353 1.320 -15.633 1.00 0.00 C ATOM 1522 SD MET A 94 0.129 1.724 -13.890 1.00 0.00 S ATOM 1523 CE MET A 94 -0.681 0.239 -13.300 1.00 0.00 C ATOM 0 H MET A 94 0.975 -1.803 -18.166 1.00 0.00 H new ATOM 0 HA MET A 94 1.862 0.925 -17.703 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.613 -0.803 -15.590 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.046 0.105 -15.150 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.819 2.164 -16.141 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.622 1.169 -16.095 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.838 0.313 -12.224 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.643 0.126 -13.800 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.055 -0.627 -13.516 1.00 0.00 H new ATOM 1533 N ARG A 95 4.012 -0.238 -16.448 1.00 0.00 N ATOM 1534 CA ARG A 95 5.349 -0.810 -16.341 1.00 0.00 C ATOM 1535 C ARG A 95 5.421 -1.810 -15.191 1.00 0.00 C ATOM 1536 O ARG A 95 4.418 -2.095 -14.537 1.00 0.00 O ATOM 1537 CB ARG A 95 6.385 0.297 -16.134 1.00 0.00 C ATOM 1538 CG ARG A 95 6.367 0.895 -14.737 1.00 0.00 C ATOM 1539 CD ARG A 95 6.831 2.343 -14.744 1.00 0.00 C ATOM 1540 NE ARG A 95 6.740 2.954 -13.421 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.684 4.265 -13.219 1.00 0.00 C ATOM 1542 NH1 ARG A 95 6.708 5.100 -14.249 1.00 0.00 N ATOM 1543 NH2 ARG A 95 6.602 4.745 -11.985 1.00 0.00 N ATOM 0 H ARG A 95 3.856 0.583 -15.863 1.00 0.00 H new ATOM 0 HA ARG A 95 5.569 -1.335 -17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.378 -0.104 -16.335 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.208 1.089 -16.861 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.358 0.837 -14.328 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.011 0.309 -14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.862 2.392 -15.095 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.227 2.914 -15.449 1.00 0.00 H new ATOM 0 HE ARG A 95 6.718 2.340 -12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.770 4.736 -15.200 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.665 6.107 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.582 4.107 -11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.559 5.752 -11.831 1.00 0.00 H new ATOM 1557 N THR A 96 6.616 -2.342 -14.950 1.00 0.00 N ATOM 1558 CA THR A 96 6.820 -3.312 -13.882 1.00 0.00 C ATOM 1559 C THR A 96 7.214 -2.622 -12.581 1.00 0.00 C ATOM 1560 O THR A 96 8.192 -1.875 -12.535 1.00 0.00 O ATOM 1561 CB THR A 96 7.905 -4.339 -14.254 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.594 -4.946 -15.513 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.024 -5.413 -13.184 1.00 0.00 C ATOM 0 H THR A 96 7.457 -2.117 -15.481 1.00 0.00 H new ATOM 0 HA THR A 96 5.872 -3.832 -13.742 1.00 0.00 H new ATOM 0 HB THR A 96 8.858 -3.816 -14.329 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.290 -5.597 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.797 -6.127 -13.469 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.290 -4.951 -12.233 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.071 -5.932 -13.082 1.00 0.00 H new ATOM 1571 N TYR A 97 6.448 -2.876 -11.526 1.00 0.00 N ATOM 1572 CA TYR A 97 6.718 -2.278 -10.224 1.00 0.00 C ATOM 1573 C TYR A 97 7.578 -3.201 -9.367 1.00 0.00 C ATOM 1574 O TYR A 97 7.717 -4.389 -9.661 1.00 0.00 O ATOM 1575 CB TYR A 97 5.406 -1.968 -9.501 1.00 0.00 C ATOM 1576 CG TYR A 97 4.712 -0.725 -10.011 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.610 -0.473 -11.374 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.157 0.196 -9.131 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.977 0.662 -11.845 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.521 1.332 -9.593 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.434 1.561 -10.951 1.00 0.00 C ATOM 1582 OH TYR A 97 2.802 2.691 -11.416 1.00 0.00 O ATOM 0 H TYR A 97 5.635 -3.492 -11.547 1.00 0.00 H new ATOM 0 HA TYR A 97 7.265 -1.349 -10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.733 -2.819 -9.607 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.607 -1.851 -8.436 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.032 -1.176 -12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.224 0.021 -8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.908 0.844 -12.907 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.094 2.037 -8.895 1.00 0.00 H new ATOM 0 HH TYR A 97 2.475 3.218 -10.658 1.00 0.00 H new ATOM 1592 N TYR A 98 8.152 -2.647 -8.305 1.00 0.00 N ATOM 1593 CA TYR A 98 9.001 -3.419 -7.405 1.00 0.00 C ATOM 1594 C TYR A 98 8.718 -3.062 -5.949 1.00 0.00 C ATOM 1595 O TYR A 98 8.487 -1.899 -5.617 1.00 0.00 O ATOM 1596 CB TYR A 98 10.476 -3.174 -7.725 1.00 0.00 C ATOM 1597 CG TYR A 98 10.925 -3.797 -9.028 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.631 -3.196 -10.246 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.643 -4.986 -9.041 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.039 -3.761 -11.438 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.055 -5.559 -10.229 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.751 -4.943 -11.424 1.00 0.00 C ATOM 1603 OH TYR A 98 12.159 -5.510 -12.610 1.00 0.00 O ATOM 0 H TYR A 98 8.045 -1.666 -8.046 1.00 0.00 H new ATOM 0 HA TYR A 98 8.776 -4.475 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.657 -2.100 -7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.086 -3.571 -6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.074 -2.271 -10.260 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.883 -5.471 -8.106 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.802 -3.281 -12.376 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.612 -6.484 -10.221 1.00 0.00 H new ATOM 0 HH TYR A 98 12.649 -6.338 -12.425 1.00 0.00 H new ATOM 1613 N PHE A 99 8.739 -4.070 -5.084 1.00 0.00 N ATOM 1614 CA PHE A 99 8.485 -3.864 -3.663 1.00 0.00 C ATOM 1615 C PHE A 99 9.368 -4.774 -2.815 1.00 0.00 C ATOM 1616 O PHE A 99 9.545 -5.952 -3.128 1.00 0.00 O ATOM 1617 CB PHE A 99 7.011 -4.123 -3.344 1.00 0.00 C ATOM 1618 CG PHE A 99 6.065 -3.480 -4.317 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.703 -2.150 -4.177 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.536 -4.206 -5.373 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.833 -1.555 -5.071 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.666 -3.617 -6.270 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.313 -2.290 -6.118 1.00 0.00 C ATOM 0 H PHE A 99 8.929 -5.038 -5.342 1.00 0.00 H new ATOM 0 HA PHE A 99 8.725 -2.828 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.833 -5.198 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.794 -3.754 -2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.106 -1.571 -3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.807 -5.244 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.560 -0.517 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.262 -4.193 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.631 -1.828 -6.817 1.00 0.00 H new ATOM 1633 N CYS A 100 9.919 -4.220 -1.741 1.00 0.00 N ATOM 1634 CA CYS A 100 10.786 -4.981 -0.848 1.00 0.00 C ATOM 1635 C CYS A 100 10.477 -4.661 0.611 1.00 0.00 C ATOM 1636 O CYS A 100 9.896 -3.621 0.921 1.00 0.00 O ATOM 1637 CB CYS A 100 12.255 -4.679 -1.149 1.00 0.00 C ATOM 1638 SG CYS A 100 12.875 -3.175 -0.360 1.00 0.00 S ATOM 0 H CYS A 100 9.781 -3.247 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 100 10.599 -6.042 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.863 -5.524 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.383 -4.590 -2.228 1.00 0.00 H new ATOM 0 HG CYS A 100 13.079 -2.263 -1.264 1.00 0.00 H new ATOM 1644 N THR A 101 10.868 -5.565 1.505 1.00 0.00 N ATOM 1645 CA THR A 101 10.630 -5.381 2.931 1.00 0.00 C ATOM 1646 C THR A 101 11.902 -5.623 3.736 1.00 0.00 C ATOM 1647 O THR A 101 12.953 -5.933 3.175 1.00 0.00 O ATOM 1648 CB THR A 101 9.525 -6.324 3.443 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.818 -7.673 3.062 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.168 -5.919 2.888 1.00 0.00 C ATOM 0 H THR A 101 11.351 -6.431 1.266 1.00 0.00 H new ATOM 0 HA THR A 101 10.308 -4.349 3.067 1.00 0.00 H new ATOM 0 HB THR A 101 9.491 -6.252 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.004 -8.206 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.404 -6.599 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.935 -4.902 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.192 -5.965 1.799 1.00 0.00 H new ATOM 1658 N ASP A 102 11.799 -5.481 5.053 1.00 0.00 N ATOM 1659 CA ASP A 102 12.942 -5.686 5.935 1.00 0.00 C ATOM 1660 C ASP A 102 13.285 -7.168 6.044 1.00 0.00 C ATOM 1661 O ASP A 102 14.456 -7.550 6.009 1.00 0.00 O ATOM 1662 CB ASP A 102 12.650 -5.114 7.324 1.00 0.00 C ATOM 1663 CG ASP A 102 12.451 -3.611 7.301 1.00 0.00 C ATOM 1664 OD1 ASP A 102 11.949 -3.095 6.281 1.00 0.00 O ATOM 1665 OD2 ASP A 102 12.799 -2.951 8.303 1.00 0.00 O ATOM 0 H ASP A 102 10.936 -5.225 5.533 1.00 0.00 H new ATOM 0 HA ASP A 102 13.798 -5.164 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.757 -5.590 7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.474 -5.358 7.995 1.00 0.00 H new ATOM 1670 N THR A 103 12.257 -8.001 6.177 1.00 0.00 N ATOM 1671 CA THR A 103 12.450 -9.440 6.294 1.00 0.00 C ATOM 1672 C THR A 103 11.392 -10.202 5.503 1.00 0.00 C ATOM 1673 O THR A 103 10.457 -9.609 4.967 1.00 0.00 O ATOM 1674 CB THR A 103 12.403 -9.897 7.764 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.108 -9.637 8.317 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.464 -9.181 8.587 1.00 0.00 C ATOM 0 H THR A 103 11.282 -7.703 6.206 1.00 0.00 H new ATOM 0 HA THR A 103 13.436 -9.660 5.885 1.00 0.00 H new ATOM 0 HB THR A 103 12.602 -10.968 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.086 -9.932 9.251 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.412 -9.520 9.622 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.451 -9.404 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.290 -8.106 8.548 1.00 0.00 H new ATOM 1684 N GLY A 104 11.546 -11.521 5.435 1.00 0.00 N ATOM 1685 CA GLY A 104 10.595 -12.342 4.709 1.00 0.00 C ATOM 1686 C GLY A 104 9.178 -12.178 5.219 1.00 0.00 C ATOM 1687 O GLY A 104 8.222 -12.209 4.443 1.00 0.00 O ATOM 0 H GLY A 104 12.312 -12.035 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.629 -12.082 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.888 -13.389 4.790 1.00 0.00 H new ATOM 1691 N LYS A 105 9.039 -12.006 6.530 1.00 0.00 N ATOM 1692 CA LYS A 105 7.728 -11.837 7.145 1.00 0.00 C ATOM 1693 C LYS A 105 7.010 -10.620 6.570 1.00 0.00 C ATOM 1694 O LYS A 105 5.972 -10.750 5.922 1.00 0.00 O ATOM 1695 CB LYS A 105 7.869 -11.690 8.661 1.00 0.00 C ATOM 1696 CG LYS A 105 6.548 -11.456 9.375 1.00 0.00 C ATOM 1697 CD LYS A 105 6.148 -9.991 9.342 1.00 0.00 C ATOM 1698 CE LYS A 105 5.333 -9.608 10.567 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.161 -9.601 11.805 1.00 0.00 N ATOM 0 H LYS A 105 9.819 -11.980 7.187 1.00 0.00 H new ATOM 0 HA LYS A 105 7.134 -12.724 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.335 -12.589 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.541 -10.859 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.769 -12.057 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.629 -11.789 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.042 -9.370 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.568 -9.791 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.895 -8.621 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.507 -10.309 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.690 -9.028 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.277 -10.575 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.095 -9.195 11.595 1.00 0.00 H new ATOM 1713 N GLU A 106 7.571 -9.439 6.810 1.00 0.00 N ATOM 1714 CA GLU A 106 6.983 -8.200 6.315 1.00 0.00 C ATOM 1715 C GLU A 106 6.615 -8.324 4.839 1.00 0.00 C ATOM 1716 O GLU A 106 5.800 -7.558 4.326 1.00 0.00 O ATOM 1717 CB GLU A 106 7.954 -7.034 6.513 1.00 0.00 C ATOM 1718 CG GLU A 106 7.929 -6.453 7.917 1.00 0.00 C ATOM 1719 CD GLU A 106 6.920 -5.332 8.066 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.178 -4.226 7.546 1.00 0.00 O ATOM 1721 OE2 GLU A 106 5.870 -5.560 8.704 1.00 0.00 O ATOM 0 H GLU A 106 8.431 -9.314 7.344 1.00 0.00 H new ATOM 0 HA GLU A 106 6.073 -8.007 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.965 -7.372 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.714 -6.247 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.695 -7.244 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.921 -6.080 8.169 1.00 0.00 H new ATOM 1728 N MET A 107 7.221 -9.294 4.164 1.00 0.00 N ATOM 1729 CA MET A 107 6.957 -9.520 2.747 1.00 0.00 C ATOM 1730 C MET A 107 5.763 -10.450 2.559 1.00 0.00 C ATOM 1731 O MET A 107 4.889 -10.192 1.732 1.00 0.00 O ATOM 1732 CB MET A 107 8.192 -10.110 2.064 1.00 0.00 C ATOM 1733 CG MET A 107 7.860 -11.037 0.906 1.00 0.00 C ATOM 1734 SD MET A 107 7.690 -12.757 1.419 1.00 0.00 S ATOM 1735 CE MET A 107 8.408 -13.603 0.013 1.00 0.00 C ATOM 0 H MET A 107 7.898 -9.937 4.575 1.00 0.00 H new ATOM 0 HA MET A 107 6.722 -8.559 2.288 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.819 -9.296 1.699 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.778 -10.658 2.801 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.932 -10.708 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.642 -10.963 0.151 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.823 -14.495 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.405 -12.939 -0.851 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.433 -13.891 0.246 1.00 0.00 H new ATOM 1745 N GLU A 108 5.734 -11.532 3.330 1.00 0.00 N ATOM 1746 CA GLU A 108 4.647 -12.501 3.246 1.00 0.00 C ATOM 1747 C GLU A 108 3.303 -11.837 3.535 1.00 0.00 C ATOM 1748 O GLU A 108 2.294 -12.151 2.902 1.00 0.00 O ATOM 1749 CB GLU A 108 4.882 -13.651 4.227 1.00 0.00 C ATOM 1750 CG GLU A 108 4.261 -13.420 5.595 1.00 0.00 C ATOM 1751 CD GLU A 108 4.486 -14.584 6.541 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.658 -14.964 6.745 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.490 -15.114 7.076 1.00 0.00 O ATOM 0 H GLU A 108 6.450 -11.760 4.020 1.00 0.00 H new ATOM 0 HA GLU A 108 4.626 -12.898 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.475 -14.569 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.955 -13.803 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.681 -12.514 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.190 -13.251 5.480 1.00 0.00 H new ATOM 1760 N LEU A 109 3.298 -10.919 4.495 1.00 0.00 N ATOM 1761 CA LEU A 109 2.079 -10.210 4.869 1.00 0.00 C ATOM 1762 C LEU A 109 1.538 -9.399 3.696 1.00 0.00 C ATOM 1763 O LEU A 109 0.326 -9.276 3.520 1.00 0.00 O ATOM 1764 CB LEU A 109 2.347 -9.289 6.061 1.00 0.00 C ATOM 1765 CG LEU A 109 2.961 -9.950 7.295 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.996 -8.974 8.461 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.186 -11.204 7.670 1.00 0.00 C ATOM 0 H LEU A 109 4.124 -10.648 5.029 1.00 0.00 H new ATOM 0 HA LEU A 109 1.330 -10.950 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.011 -8.489 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.406 -8.823 6.353 1.00 0.00 H new ATOM 0 HG LEU A 109 3.985 -10.238 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.436 -9.462 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.596 -8.105 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.981 -8.655 8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.638 -11.661 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.151 -10.940 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.213 -11.910 6.840 1.00 0.00 H new ATOM 1779 N TRP A 110 2.445 -8.850 2.896 1.00 0.00 N ATOM 1780 CA TRP A 110 2.059 -8.052 1.738 1.00 0.00 C ATOM 1781 C TRP A 110 1.682 -8.947 0.562 1.00 0.00 C ATOM 1782 O TRP A 110 0.608 -8.801 -0.022 1.00 0.00 O ATOM 1783 CB TRP A 110 3.198 -7.114 1.336 1.00 0.00 C ATOM 1784 CG TRP A 110 3.136 -5.780 2.016 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.079 -5.236 2.841 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.075 -4.823 1.931 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.667 -3.999 3.274 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.441 -3.722 2.729 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.851 -4.788 1.256 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.627 -2.601 2.870 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.044 -3.675 1.398 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.435 -2.594 2.199 1.00 0.00 C ATOM 0 H TRP A 110 3.452 -8.943 3.028 1.00 0.00 H new ATOM 0 HA TRP A 110 1.188 -7.457 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.151 -7.589 1.570 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.173 -6.965 0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.011 -5.709 3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.189 -3.386 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.542 -5.616 0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.926 -1.767 3.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.904 -3.638 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.218 -1.738 2.288 1.00 0.00 H new ATOM 1803 N MET A 111 2.572 -9.873 0.219 1.00 0.00 N ATOM 1804 CA MET A 111 2.330 -10.792 -0.887 1.00 0.00 C ATOM 1805 C MET A 111 1.024 -11.554 -0.686 1.00 0.00 C ATOM 1806 O MET A 111 0.076 -11.395 -1.455 1.00 0.00 O ATOM 1807 CB MET A 111 3.493 -11.777 -1.023 1.00 0.00 C ATOM 1808 CG MET A 111 4.761 -11.148 -1.578 1.00 0.00 C ATOM 1809 SD MET A 111 5.904 -12.369 -2.251 1.00 0.00 S ATOM 1810 CE MET A 111 5.925 -11.898 -3.979 1.00 0.00 C ATOM 0 H MET A 111 3.466 -10.007 0.691 1.00 0.00 H new ATOM 0 HA MET A 111 2.250 -10.206 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.709 -12.208 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.189 -12.597 -1.673 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.497 -10.434 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.259 -10.586 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.941 -11.977 -4.365 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.270 -12.560 -4.545 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.577 -10.870 -4.080 1.00 0.00 H new ATOM 1820 N LYS A 112 0.981 -12.381 0.353 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.209 -13.168 0.656 1.00 0.00 C ATOM 1822 C LYS A 112 -1.476 -12.393 0.308 1.00 0.00 C ATOM 1823 O LYS A 112 -2.443 -12.962 -0.198 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.225 -13.555 2.137 1.00 0.00 C ATOM 1825 CG LYS A 112 0.843 -14.567 2.513 1.00 0.00 C ATOM 1826 CD LYS A 112 0.553 -15.933 1.913 1.00 0.00 C ATOM 1827 CE LYS A 112 1.602 -16.955 2.322 1.00 0.00 C ATOM 1828 NZ LYS A 112 2.951 -16.606 1.798 1.00 0.00 N ATOM 0 H LYS A 112 1.757 -12.524 1.000 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.180 -14.074 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.091 -12.657 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.204 -13.963 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.816 -14.216 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.901 -14.650 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.432 -16.272 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.523 -15.855 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.641 -17.020 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.313 -17.939 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.600 -17.404 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.886 -16.402 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.311 -15.767 2.297 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.463 -11.093 0.581 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.610 -10.240 0.294 1.00 0.00 C ATOM 1844 C ALA A 113 -2.628 -9.821 -1.172 1.00 0.00 C ATOM 1845 O ALA A 113 -3.675 -9.838 -1.819 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.595 -9.014 1.195 1.00 0.00 C ATOM 0 H ALA A 113 -0.671 -10.607 1.001 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.516 -10.812 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.457 -8.386 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.638 -9.328 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.679 -8.448 1.024 1.00 0.00 H new ATOM 1852 N MET A 114 -1.464 -9.446 -1.690 1.00 0.00 N ATOM 1853 CA MET A 114 -1.347 -9.023 -3.081 1.00 0.00 C ATOM 1854 C MET A 114 -1.797 -10.133 -4.026 1.00 0.00 C ATOM 1855 O MET A 114 -2.664 -9.925 -4.876 1.00 0.00 O ATOM 1856 CB MET A 114 0.095 -8.622 -3.396 1.00 0.00 C ATOM 1857 CG MET A 114 0.487 -7.267 -2.830 1.00 0.00 C ATOM 1858 SD MET A 114 2.007 -6.624 -3.556 1.00 0.00 S ATOM 1859 CE MET A 114 2.647 -5.651 -2.196 1.00 0.00 C ATOM 0 H MET A 114 -0.588 -9.426 -1.168 1.00 0.00 H new ATOM 0 HA MET A 114 -1.996 -8.160 -3.228 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.769 -9.381 -2.999 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.232 -8.608 -4.477 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.322 -6.557 -3.003 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.612 -7.351 -1.750 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.021 -4.699 -2.574 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.851 -5.467 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.459 -6.193 -1.711 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.202 -11.310 -3.874 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.541 -12.454 -4.714 1.00 0.00 C ATOM 1871 C LEU A 115 -3.043 -12.720 -4.691 1.00 0.00 C ATOM 1872 O LEU A 115 -3.623 -13.149 -5.689 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.784 -13.698 -4.247 1.00 0.00 C ATOM 1874 CG LEU A 115 0.586 -13.929 -4.886 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.475 -13.926 -6.402 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.577 -12.873 -4.419 1.00 0.00 C ATOM 0 H LEU A 115 -0.482 -11.498 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.247 -12.221 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.653 -13.635 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.406 -14.572 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 115 0.952 -14.906 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.460 -14.092 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.201 -14.720 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.087 -12.964 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.546 -13.053 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.216 -11.884 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.679 -12.924 -3.335 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.667 -12.460 -3.547 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.102 -12.669 -3.395 1.00 0.00 C ATOM 1890 C ASP A 116 -5.886 -11.754 -4.331 1.00 0.00 C ATOM 1891 O ASP A 116 -6.926 -12.140 -4.864 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.524 -12.419 -1.946 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.781 -13.180 -1.570 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.662 -14.347 -1.143 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.883 -12.608 -1.704 1.00 0.00 O ATOM 0 H ASP A 116 -3.202 -12.104 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.324 -13.704 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.713 -12.711 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.691 -11.352 -1.798 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.381 -10.540 -4.524 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.033 -9.571 -5.396 1.00 0.00 C ATOM 1902 C ALA A 117 -5.632 -9.785 -6.852 1.00 0.00 C ATOM 1903 O ALA A 117 -6.485 -9.872 -7.734 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.697 -8.154 -4.956 1.00 0.00 C ATOM 0 H ALA A 117 -4.522 -10.204 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.110 -9.717 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.191 -7.441 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.041 -7.999 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.618 -8.005 -5.003 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.328 -9.867 -7.095 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.813 -10.071 -8.443 1.00 0.00 C ATOM 1912 C ALA A 118 -4.486 -11.265 -9.112 1.00 0.00 C ATOM 1913 O ALA A 118 -4.999 -11.157 -10.227 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.304 -10.263 -8.409 1.00 0.00 C ATOM 0 H ALA A 118 -3.609 -9.795 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.041 -9.182 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.934 -10.414 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.834 -9.378 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.062 -11.134 -7.800 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.480 -12.402 -8.426 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.090 -13.617 -8.955 1.00 0.00 C ATOM 1922 C LEU A 119 -6.413 -13.307 -9.646 1.00 0.00 C ATOM 1923 O LEU A 119 -6.777 -13.949 -10.631 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.315 -14.630 -7.830 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.601 -14.460 -7.021 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.747 -15.214 -7.677 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.398 -14.934 -5.590 1.00 0.00 C ATOM 0 H LEU A 119 -4.060 -12.508 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.409 -14.044 -9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.311 -15.630 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.469 -14.576 -7.145 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.856 -13.400 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.654 -15.082 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.908 -14.827 -8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.501 -16.274 -7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.324 -14.805 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.118 -15.988 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.606 -14.349 -5.122 1.00 0.00 H new ATOM 1939 N VAL A 120 -7.129 -12.315 -9.126 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.410 -11.916 -9.695 1.00 0.00 C ATOM 1941 C VAL A 120 -8.343 -11.862 -11.217 1.00 0.00 C ATOM 1942 O VAL A 120 -7.406 -11.302 -11.786 1.00 0.00 O ATOM 1943 CB VAL A 120 -8.857 -10.541 -9.162 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -10.143 -10.097 -9.843 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -9.031 -10.586 -7.652 1.00 0.00 C ATOM 0 H VAL A 120 -6.843 -11.773 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.138 -12.669 -9.393 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.081 -9.811 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.444 -9.124 -9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.979 -10.023 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.930 -10.825 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.347 -9.607 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.787 -11.328 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -8.084 -10.856 -7.185 1.00 0.00 H new ATOM 1955 N GLN A 121 -9.342 -12.446 -11.869 1.00 0.00 N ATOM 1956 CA GLN A 121 -9.396 -12.465 -13.326 1.00 0.00 C ATOM 1957 C GLN A 121 -10.415 -11.457 -13.846 1.00 0.00 C ATOM 1958 O GLN A 121 -11.357 -11.818 -14.553 1.00 0.00 O ATOM 1959 CB GLN A 121 -9.746 -13.867 -13.827 1.00 0.00 C ATOM 1960 CG GLN A 121 -8.848 -14.956 -13.263 1.00 0.00 C ATOM 1961 CD GLN A 121 -9.379 -15.537 -11.967 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -10.567 -15.426 -11.664 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -8.498 -16.161 -11.193 1.00 0.00 N ATOM 0 H GLN A 121 -10.125 -12.913 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.412 -12.188 -13.704 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.781 -14.089 -13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.682 -13.882 -14.915 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -8.744 -15.754 -13.999 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.852 -14.548 -13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.523 -16.230 -11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.797 -16.572 -10.308 1.00 0.00 H new ATOM 1972 N THR A 122 -10.223 -10.190 -13.491 1.00 0.00 N ATOM 1973 CA THR A 122 -11.126 -9.130 -13.920 1.00 0.00 C ATOM 1974 C THR A 122 -10.481 -8.258 -14.991 1.00 0.00 C ATOM 1975 O THR A 122 -10.635 -7.037 -14.987 1.00 0.00 O ATOM 1976 CB THR A 122 -11.550 -8.240 -12.737 1.00 0.00 C ATOM 1977 OG1 THR A 122 -12.595 -7.350 -13.144 1.00 0.00 O ATOM 1978 CG2 THR A 122 -10.369 -7.438 -12.213 1.00 0.00 C ATOM 0 H THR A 122 -9.449 -9.873 -12.907 1.00 0.00 H new ATOM 0 HA THR A 122 -12.009 -9.616 -14.334 1.00 0.00 H new ATOM 0 HB THR A 122 -11.914 -8.885 -11.937 1.00 0.00 H new ATOM 0 HG1 THR A 122 -12.277 -6.788 -13.881 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.693 -6.817 -11.378 1.00 0.00 H new ATOM 0 HG22 THR A 122 -9.587 -8.119 -11.877 1.00 0.00 H new ATOM 0 HG23 THR A 122 -9.979 -6.802 -13.008 1.00 0.00 H new ATOM 1986 N SER A 123 -9.757 -8.893 -15.908 1.00 0.00 N ATOM 1987 CA SER A 123 -9.086 -8.174 -16.985 1.00 0.00 C ATOM 1988 C SER A 123 -9.292 -8.880 -18.321 1.00 0.00 C ATOM 1989 O SER A 123 -9.818 -9.991 -18.375 1.00 0.00 O ATOM 1990 CB SER A 123 -7.590 -8.048 -16.687 1.00 0.00 C ATOM 1991 OG SER A 123 -6.965 -7.151 -17.588 1.00 0.00 O ATOM 0 H SER A 123 -9.620 -9.904 -15.926 1.00 0.00 H new ATOM 0 HA SER A 123 -9.522 -7.177 -17.050 1.00 0.00 H new ATOM 0 HB2 SER A 123 -7.448 -7.699 -15.664 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.118 -9.028 -16.758 1.00 0.00 H new ATOM 0 HG SER A 123 -6.010 -7.086 -17.376 1.00 0.00 H new ATOM 1997 N GLY A 124 -8.872 -8.226 -19.400 1.00 0.00 N ATOM 1998 CA GLY A 124 -9.019 -8.805 -20.723 1.00 0.00 C ATOM 1999 C GLY A 124 -8.722 -7.810 -21.827 1.00 0.00 C ATOM 2000 O GLY A 124 -7.576 -7.637 -22.244 1.00 0.00 O ATOM 0 H GLY A 124 -8.433 -7.306 -19.382 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.349 -9.660 -20.819 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.035 -9.181 -20.841 1.00 0.00 H new ATOM 2004 N PRO A 125 -9.772 -7.138 -22.321 1.00 0.00 N ATOM 2005 CA PRO A 125 -9.643 -6.145 -23.392 1.00 0.00 C ATOM 2006 C PRO A 125 -9.094 -4.815 -22.886 1.00 0.00 C ATOM 2007 O PRO A 125 -9.577 -3.748 -23.267 1.00 0.00 O ATOM 2008 CB PRO A 125 -11.079 -5.975 -23.893 1.00 0.00 C ATOM 2009 CG PRO A 125 -11.932 -6.300 -22.716 1.00 0.00 C ATOM 2010 CD PRO A 125 -11.165 -7.294 -21.872 1.00 0.00 C ATOM 0 HA PRO A 125 -8.943 -6.466 -24.164 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.258 -4.958 -24.243 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -11.288 -6.642 -24.730 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -12.157 -5.400 -22.143 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -12.885 -6.721 -23.036 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.269 -7.079 -20.808 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -11.524 -8.311 -22.028 1.00 0.00 H new ATOM 2018 N SER A 126 -8.083 -4.885 -22.027 1.00 0.00 N ATOM 2019 CA SER A 126 -7.471 -3.686 -21.466 1.00 0.00 C ATOM 2020 C SER A 126 -7.301 -2.612 -22.537 1.00 0.00 C ATOM 2021 O SER A 126 -7.633 -1.447 -22.321 1.00 0.00 O ATOM 2022 CB SER A 126 -6.114 -4.023 -20.845 1.00 0.00 C ATOM 2023 OG SER A 126 -5.248 -4.611 -21.800 1.00 0.00 O ATOM 0 H SER A 126 -7.670 -5.760 -21.704 1.00 0.00 H new ATOM 0 HA SER A 126 -8.131 -3.300 -20.690 1.00 0.00 H new ATOM 0 HB2 SER A 126 -5.658 -3.117 -20.445 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.254 -4.706 -20.007 1.00 0.00 H new ATOM 0 HG SER A 126 -4.387 -4.815 -21.379 1.00 0.00 H new ATOM 2029 N SER A 127 -6.780 -3.014 -23.692 1.00 0.00 N ATOM 2030 CA SER A 127 -6.562 -2.087 -24.796 1.00 0.00 C ATOM 2031 C SER A 127 -6.678 -2.803 -26.138 1.00 0.00 C ATOM 2032 O SER A 127 -6.227 -3.937 -26.290 1.00 0.00 O ATOM 2033 CB SER A 127 -5.185 -1.430 -24.673 1.00 0.00 C ATOM 2034 OG SER A 127 -5.030 -0.390 -25.622 1.00 0.00 O ATOM 0 H SER A 127 -6.501 -3.975 -23.887 1.00 0.00 H new ATOM 0 HA SER A 127 -7.331 -1.316 -24.748 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.058 -1.030 -23.667 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.407 -2.179 -24.819 1.00 0.00 H new ATOM 0 HG SER A 127 -4.143 0.015 -25.522 1.00 0.00 H new ATOM 2040 N GLY A 128 -7.288 -2.130 -27.109 1.00 0.00 N ATOM 2041 CA GLY A 128 -7.454 -2.716 -28.427 1.00 0.00 C ATOM 2042 C GLY A 128 -6.281 -2.425 -29.342 1.00 0.00 C ATOM 2043 O GLY A 128 -5.567 -1.441 -29.153 1.00 0.00 O ATOM 0 H GLY A 128 -7.670 -1.190 -27.007 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.576 -3.795 -28.329 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.368 -2.332 -28.880 1.00 0.00 H new TER 2047 GLY A 128