USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 842 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 MET CE :methyl 178:sc= -5.99! (180deg=-6.07!) USER MOD Set 1.2: A 81 MET CE :methyl 165:sc= -2.36 (180deg=-3.68!) USER MOD Set 2.1: A 17 THR OG1 : rot -30:sc= 1.88 USER MOD Set 2.2: A 21 THR OG1 : rot 96:sc= 0.763 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 5 SER OG : rot -96:sc= 1.29 USER MOD Single : A 9 MET CE :methyl -157:sc= -8.95! (180deg=-11.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.491 K(o=-0.49,f=-6.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.0678 K(o=0.068,f=-3.2!) USER MOD Single : A 32 ASN : amide:sc=-0.00572 K(o=-0.0057,f=-0.97) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -121:sc= 0.776 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.784 USER MOD Single : A 40 SER OG : rot -105:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 0.622 K(o=0.62,f=0) USER MOD Single : A 45 CYS SG : rot -71:sc= 0.081 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 140:sc= 0.675 USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -1 (180deg=-1.92!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -175:sc= -6.09! (180deg=-6.32!) USER MOD Single : A 57 CYS SG : rot -150:sc= -1.72 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.5) USER MOD Single : A 67 THR OG1 : rot 11:sc= 0.95 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-7.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.3!) USER MOD Single : A 90 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.909) USER MOD Single : A 102 CYS SG : rot -34:sc= 0.103 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -18:sc= 0.64 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.504 0.513 3.769 1.00 0.00 N ATOM 2 CA GLY A 1 -18.885 1.226 2.527 1.00 0.00 C ATOM 3 C GLY A 1 -18.854 0.312 1.319 1.00 0.00 C ATOM 4 O GLY A 1 -18.468 -0.852 1.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.554 1.168 4.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.157 -0.281 3.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.534 0.151 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.885 1.644 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.206 2.063 2.366 1.00 0.00 H new ATOM 10 N PRO A 2 -19.240 0.814 0.129 1.00 0.00 N ATOM 11 CA PRO A 2 -19.290 0.022 -1.110 1.00 0.00 C ATOM 12 C PRO A 2 -17.901 -0.285 -1.671 1.00 0.00 C ATOM 13 O PRO A 2 -17.599 0.022 -2.824 1.00 0.00 O ATOM 14 CB PRO A 2 -20.076 0.914 -2.087 1.00 0.00 C ATOM 15 CG PRO A 2 -20.615 2.039 -1.266 1.00 0.00 C ATOM 16 CD PRO A 2 -19.673 2.195 -0.109 1.00 0.00 C ATOM 0 HA PRO A 2 -19.748 -0.952 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.431 1.285 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.882 0.356 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.670 2.957 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.625 1.820 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.835 2.848 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.167 2.622 0.763 1.00 0.00 H new ATOM 24 N LEU A 3 -17.076 -0.907 -0.845 1.00 0.00 N ATOM 25 CA LEU A 3 -15.710 -1.269 -1.205 1.00 0.00 C ATOM 26 C LEU A 3 -15.081 -2.035 -0.050 1.00 0.00 C ATOM 27 O LEU A 3 -14.204 -2.877 -0.237 1.00 0.00 O ATOM 28 CB LEU A 3 -14.853 -0.029 -1.540 1.00 0.00 C ATOM 29 CG LEU A 3 -14.415 0.846 -0.354 1.00 0.00 C ATOM 30 CD1 LEU A 3 -13.341 1.828 -0.794 1.00 0.00 C ATOM 31 CD2 LEU A 3 -15.593 1.603 0.241 1.00 0.00 C ATOM 0 H LEU A 3 -17.335 -1.178 0.103 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.746 -1.891 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.958 -0.365 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.414 0.595 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.010 0.187 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.039 2.442 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.478 1.279 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.735 2.469 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.249 2.212 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.033 2.247 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.341 0.893 0.593 1.00 0.00 H new ATOM 43 N GLY A 4 -15.579 -1.755 1.142 1.00 0.00 N ATOM 44 CA GLY A 4 -15.051 -2.351 2.343 1.00 0.00 C ATOM 45 C GLY A 4 -14.963 -1.321 3.439 1.00 0.00 C ATOM 46 O GLY A 4 -15.844 -0.464 3.553 1.00 0.00 O ATOM 0 H GLY A 4 -16.355 -1.112 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.689 -3.176 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.064 -2.769 2.147 1.00 0.00 H new ATOM 50 N SER A 5 -13.909 -1.385 4.228 1.00 0.00 N ATOM 51 CA SER A 5 -13.662 -0.381 5.242 1.00 0.00 C ATOM 52 C SER A 5 -12.771 0.708 4.652 1.00 0.00 C ATOM 53 O SER A 5 -11.668 0.420 4.201 1.00 0.00 O ATOM 54 CB SER A 5 -12.995 -1.019 6.465 1.00 0.00 C ATOM 55 OG SER A 5 -12.836 -0.085 7.524 1.00 0.00 O ATOM 0 H SER A 5 -13.208 -2.125 4.186 1.00 0.00 H new ATOM 0 HA SER A 5 -14.606 0.059 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.596 -1.861 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.021 -1.417 6.182 1.00 0.00 H new ATOM 0 HG SER A 5 -11.932 0.293 7.494 1.00 0.00 H new ATOM 61 N PRO A 6 -13.247 1.963 4.612 1.00 0.00 N ATOM 62 CA PRO A 6 -12.473 3.078 4.057 1.00 0.00 C ATOM 63 C PRO A 6 -11.233 3.379 4.895 1.00 0.00 C ATOM 64 O PRO A 6 -11.259 4.228 5.790 1.00 0.00 O ATOM 65 CB PRO A 6 -13.453 4.254 4.088 1.00 0.00 C ATOM 66 CG PRO A 6 -14.458 3.891 5.126 1.00 0.00 C ATOM 67 CD PRO A 6 -14.568 2.392 5.099 1.00 0.00 C ATOM 0 HA PRO A 6 -12.098 2.862 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.945 5.185 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.925 4.401 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.145 4.240 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.421 4.356 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.783 1.987 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.368 2.059 4.437 1.00 0.00 H new ATOM 75 N GLU A 7 -10.156 2.664 4.608 1.00 0.00 N ATOM 76 CA GLU A 7 -8.923 2.801 5.363 1.00 0.00 C ATOM 77 C GLU A 7 -8.044 3.903 4.793 1.00 0.00 C ATOM 78 O GLU A 7 -8.252 4.373 3.669 1.00 0.00 O ATOM 79 CB GLU A 7 -8.153 1.480 5.379 1.00 0.00 C ATOM 80 CG GLU A 7 -8.892 0.351 6.077 1.00 0.00 C ATOM 81 CD GLU A 7 -9.254 0.694 7.506 1.00 0.00 C ATOM 82 OE1 GLU A 7 -8.341 0.744 8.359 1.00 0.00 O ATOM 83 OE2 GLU A 7 -10.450 0.914 7.785 1.00 0.00 O ATOM 0 H GLU A 7 -10.113 1.980 3.853 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.192 3.071 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.939 1.182 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.194 1.635 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.800 0.117 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.272 -0.546 6.067 1.00 0.00 H new ATOM 90 N PHE A 8 -7.061 4.300 5.581 1.00 0.00 N ATOM 91 CA PHE A 8 -6.137 5.348 5.212 1.00 0.00 C ATOM 92 C PHE A 8 -4.837 5.107 5.944 1.00 0.00 C ATOM 93 O PHE A 8 -4.701 5.461 7.114 1.00 0.00 O ATOM 94 CB PHE A 8 -6.705 6.724 5.573 1.00 0.00 C ATOM 95 CG PHE A 8 -5.812 7.872 5.180 1.00 0.00 C ATOM 96 CD1 PHE A 8 -5.803 8.346 3.879 1.00 0.00 C ATOM 97 CD2 PHE A 8 -4.981 8.475 6.112 1.00 0.00 C ATOM 98 CE1 PHE A 8 -4.985 9.398 3.515 1.00 0.00 C ATOM 99 CE2 PHE A 8 -4.162 9.528 5.751 1.00 0.00 C ATOM 100 CZ PHE A 8 -4.163 9.989 4.452 1.00 0.00 C ATOM 0 H PHE A 8 -6.883 3.899 6.502 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.971 5.333 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.673 6.846 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.881 6.764 6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.443 7.888 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.974 8.118 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.989 9.758 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.521 9.990 6.487 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.522 10.811 4.169 1.00 0.00 H new ATOM 110 N MET A 9 -3.889 4.489 5.284 1.00 0.00 N ATOM 111 CA MET A 9 -2.645 4.156 5.941 1.00 0.00 C ATOM 112 C MET A 9 -1.455 4.721 5.191 1.00 0.00 C ATOM 113 O MET A 9 -1.386 4.634 3.976 1.00 0.00 O ATOM 114 CB MET A 9 -2.541 2.652 6.059 1.00 0.00 C ATOM 115 CG MET A 9 -1.138 2.163 6.306 1.00 0.00 C ATOM 116 SD MET A 9 -1.020 0.381 6.227 1.00 0.00 S ATOM 117 CE MET A 9 0.730 0.178 6.488 1.00 0.00 C ATOM 0 H MET A 9 -3.950 4.208 4.305 1.00 0.00 H new ATOM 0 HA MET A 9 -2.637 4.603 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.183 2.314 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.920 2.197 5.144 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.467 2.603 5.568 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.803 2.504 7.285 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.050 -0.780 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.268 0.984 5.989 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.944 0.206 7.556 1.00 0.00 H new ATOM 127 N GLU A 10 -0.510 5.271 5.925 1.00 0.00 N ATOM 128 CA GLU A 10 0.611 5.971 5.318 1.00 0.00 C ATOM 129 C GLU A 10 1.939 5.590 5.954 1.00 0.00 C ATOM 130 O GLU A 10 2.010 5.275 7.142 1.00 0.00 O ATOM 131 CB GLU A 10 0.399 7.483 5.421 1.00 0.00 C ATOM 132 CG GLU A 10 -0.097 7.937 6.777 1.00 0.00 C ATOM 133 CD GLU A 10 -0.213 9.442 6.900 1.00 0.00 C ATOM 134 OE1 GLU A 10 0.788 10.147 6.648 1.00 0.00 O ATOM 135 OE2 GLU A 10 -1.297 9.926 7.287 1.00 0.00 O ATOM 0 H GLU A 10 -0.493 5.249 6.945 1.00 0.00 H new ATOM 0 HA GLU A 10 0.653 5.674 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.339 7.989 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.317 7.793 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.071 7.488 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.581 7.568 7.546 1.00 0.00 H new ATOM 142 N GLY A 11 2.983 5.609 5.138 1.00 0.00 N ATOM 143 CA GLY A 11 4.331 5.395 5.618 1.00 0.00 C ATOM 144 C GLY A 11 5.235 4.871 4.521 1.00 0.00 C ATOM 145 O GLY A 11 4.761 4.472 3.460 1.00 0.00 O ATOM 0 H GLY A 11 2.916 5.772 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.733 6.331 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.315 4.687 6.447 1.00 0.00 H new ATOM 149 N VAL A 12 6.535 4.901 4.757 1.00 0.00 N ATOM 150 CA VAL A 12 7.506 4.523 3.765 1.00 0.00 C ATOM 151 C VAL A 12 7.464 3.023 3.471 1.00 0.00 C ATOM 152 O VAL A 12 7.408 2.191 4.380 1.00 0.00 O ATOM 153 CB VAL A 12 8.914 4.975 4.223 1.00 0.00 C ATOM 154 CG1 VAL A 12 8.839 5.705 5.557 1.00 0.00 C ATOM 155 CG2 VAL A 12 9.901 3.818 4.301 1.00 0.00 C ATOM 0 H VAL A 12 6.940 5.190 5.647 1.00 0.00 H new ATOM 0 HA VAL A 12 7.262 5.026 2.829 1.00 0.00 H new ATOM 0 HB VAL A 12 9.287 5.663 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.840 6.014 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.203 6.585 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.420 5.040 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.872 4.190 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.538 3.078 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.000 3.357 3.318 1.00 0.00 H new ATOM 165 N LEU A 13 7.461 2.699 2.191 1.00 0.00 N ATOM 166 CA LEU A 13 7.473 1.325 1.741 1.00 0.00 C ATOM 167 C LEU A 13 8.752 1.091 0.927 1.00 0.00 C ATOM 168 O LEU A 13 9.008 1.783 -0.062 1.00 0.00 O ATOM 169 CB LEU A 13 6.205 1.066 0.918 1.00 0.00 C ATOM 170 CG LEU A 13 5.693 -0.377 0.875 1.00 0.00 C ATOM 171 CD1 LEU A 13 5.869 -1.071 2.197 1.00 0.00 C ATOM 172 CD2 LEU A 13 4.225 -0.401 0.529 1.00 0.00 C ATOM 0 H LEU A 13 7.450 3.384 1.436 1.00 0.00 H new ATOM 0 HA LEU A 13 7.474 0.628 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.409 1.697 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.392 1.391 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 13 6.277 -0.897 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.494 -2.092 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.927 -1.091 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.314 -0.534 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.874 -1.433 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.665 0.153 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.074 0.059 -0.447 1.00 0.00 H new ATOM 184 N TYR A 14 9.573 0.156 1.390 1.00 0.00 N ATOM 185 CA TYR A 14 10.874 -0.143 0.780 1.00 0.00 C ATOM 186 C TYR A 14 10.699 -0.912 -0.523 1.00 0.00 C ATOM 187 O TYR A 14 10.683 -2.132 -0.518 1.00 0.00 O ATOM 188 CB TYR A 14 11.716 -0.986 1.747 1.00 0.00 C ATOM 189 CG TYR A 14 12.377 -0.203 2.865 1.00 0.00 C ATOM 190 CD1 TYR A 14 11.663 0.707 3.630 1.00 0.00 C ATOM 191 CD2 TYR A 14 13.724 -0.382 3.152 1.00 0.00 C ATOM 192 CE1 TYR A 14 12.271 1.416 4.647 1.00 0.00 C ATOM 193 CE2 TYR A 14 14.338 0.325 4.169 1.00 0.00 C ATOM 194 CZ TYR A 14 13.607 1.222 4.913 1.00 0.00 C ATOM 195 OH TYR A 14 14.214 1.930 5.924 1.00 0.00 O ATOM 0 H TYR A 14 9.359 -0.422 2.203 1.00 0.00 H new ATOM 0 HA TYR A 14 11.376 0.801 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.079 -1.753 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.489 -1.502 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.614 0.864 3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.302 -1.086 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.699 2.121 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.387 0.174 4.378 1.00 0.00 H new ATOM 0 HH TYR A 14 15.158 1.674 5.981 1.00 0.00 H new ATOM 205 N LYS A 15 10.647 -0.217 -1.644 1.00 0.00 N ATOM 206 CA LYS A 15 10.228 -0.850 -2.880 1.00 0.00 C ATOM 207 C LYS A 15 11.404 -1.385 -3.686 1.00 0.00 C ATOM 208 O LYS A 15 12.497 -0.813 -3.695 1.00 0.00 O ATOM 209 CB LYS A 15 9.433 0.115 -3.755 1.00 0.00 C ATOM 210 CG LYS A 15 8.242 0.755 -3.061 1.00 0.00 C ATOM 211 CD LYS A 15 7.153 1.105 -4.062 1.00 0.00 C ATOM 212 CE LYS A 15 7.657 2.057 -5.136 1.00 0.00 C ATOM 213 NZ LYS A 15 6.691 2.189 -6.257 1.00 0.00 N ATOM 0 H LYS A 15 10.886 0.771 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 15 9.596 -1.689 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.100 0.902 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.080 -0.420 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.845 0.073 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.562 1.655 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.783 0.193 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.311 1.560 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.838 3.038 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.612 1.698 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.072 2.846 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.537 1.258 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.787 2.556 -5.895 1.00 0.00 H new ATOM 227 N TRP A 16 11.149 -2.497 -4.361 1.00 0.00 N ATOM 228 CA TRP A 16 12.106 -3.104 -5.265 1.00 0.00 C ATOM 229 C TRP A 16 11.831 -2.588 -6.672 1.00 0.00 C ATOM 230 O TRP A 16 10.924 -3.067 -7.356 1.00 0.00 O ATOM 231 CB TRP A 16 11.954 -4.631 -5.198 1.00 0.00 C ATOM 232 CG TRP A 16 12.861 -5.408 -6.108 1.00 0.00 C ATOM 233 CD1 TRP A 16 12.644 -5.708 -7.423 1.00 0.00 C ATOM 234 CD2 TRP A 16 14.110 -6.017 -5.760 1.00 0.00 C ATOM 235 NE1 TRP A 16 13.683 -6.458 -7.914 1.00 0.00 N ATOM 236 CE2 TRP A 16 14.596 -6.660 -6.914 1.00 0.00 C ATOM 237 CE3 TRP A 16 14.867 -6.077 -4.588 1.00 0.00 C ATOM 238 CZ2 TRP A 16 15.801 -7.356 -6.927 1.00 0.00 C ATOM 239 CZ3 TRP A 16 16.064 -6.768 -4.602 1.00 0.00 C ATOM 240 CH2 TRP A 16 16.521 -7.399 -5.765 1.00 0.00 C ATOM 0 H TRP A 16 10.266 -3.004 -4.294 1.00 0.00 H new ATOM 0 HA TRP A 16 13.128 -2.847 -4.986 1.00 0.00 H new ATOM 0 HB2 TRP A 16 12.134 -4.953 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 16 10.922 -4.887 -5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 16 11.780 -5.400 -7.993 1.00 0.00 H new ATOM 0 HE1 TRP A 16 13.762 -6.808 -8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.523 -5.592 -3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 16.155 -7.845 -7.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.657 -6.822 -3.701 1.00 0.00 H new ATOM 0 HH2 TRP A 16 17.461 -7.930 -5.744 1.00 0.00 H new ATOM 251 N THR A 17 12.597 -1.595 -7.095 1.00 0.00 N ATOM 252 CA THR A 17 12.356 -0.961 -8.377 1.00 0.00 C ATOM 253 C THR A 17 13.073 -1.713 -9.488 1.00 0.00 C ATOM 254 O THR A 17 12.577 -1.811 -10.611 1.00 0.00 O ATOM 255 CB THR A 17 12.801 0.516 -8.367 1.00 0.00 C ATOM 256 OG1 THR A 17 14.215 0.611 -8.167 1.00 0.00 O ATOM 257 CG2 THR A 17 12.092 1.283 -7.262 1.00 0.00 C ATOM 0 H THR A 17 13.385 -1.214 -6.572 1.00 0.00 H new ATOM 0 HA THR A 17 11.282 -0.991 -8.563 1.00 0.00 H new ATOM 0 HB THR A 17 12.539 0.950 -9.332 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.522 -0.152 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.420 2.322 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.015 1.241 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.332 0.836 -6.297 1.00 0.00 H new ATOM 265 N ASN A 18 14.229 -2.267 -9.159 1.00 0.00 N ATOM 266 CA ASN A 18 15.020 -3.018 -10.118 1.00 0.00 C ATOM 267 C ASN A 18 15.977 -3.940 -9.373 1.00 0.00 C ATOM 268 O ASN A 18 16.156 -3.786 -8.166 1.00 0.00 O ATOM 269 CB ASN A 18 15.792 -2.050 -11.028 1.00 0.00 C ATOM 270 CG ASN A 18 16.531 -2.739 -12.158 1.00 0.00 C ATOM 271 OD1 ASN A 18 17.695 -3.116 -12.018 1.00 0.00 O ATOM 272 ND2 ASN A 18 15.868 -2.894 -13.291 1.00 0.00 N ATOM 0 H ASN A 18 14.642 -2.209 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 18 14.364 -3.625 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.094 -1.326 -11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.507 -1.490 -10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.320 -3.340 -14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.905 -2.568 -13.367 1.00 0.00 H new ATOM 279 N TYR A 19 16.571 -4.901 -10.067 1.00 0.00 N ATOM 280 CA TYR A 19 17.548 -5.788 -9.450 1.00 0.00 C ATOM 281 C TYR A 19 18.710 -4.984 -8.873 1.00 0.00 C ATOM 282 O TYR A 19 19.187 -5.259 -7.770 1.00 0.00 O ATOM 283 CB TYR A 19 18.063 -6.813 -10.464 1.00 0.00 C ATOM 284 CG TYR A 19 19.233 -7.622 -9.954 1.00 0.00 C ATOM 285 CD1 TYR A 19 19.083 -8.508 -8.895 1.00 0.00 C ATOM 286 CD2 TYR A 19 20.494 -7.481 -10.517 1.00 0.00 C ATOM 287 CE1 TYR A 19 20.154 -9.232 -8.416 1.00 0.00 C ATOM 288 CE2 TYR A 19 21.571 -8.199 -10.041 1.00 0.00 C ATOM 289 CZ TYR A 19 21.397 -9.074 -8.990 1.00 0.00 C ATOM 290 OH TYR A 19 22.472 -9.786 -8.507 1.00 0.00 O ATOM 0 H TYR A 19 16.394 -5.086 -11.054 1.00 0.00 H new ATOM 0 HA TYR A 19 17.058 -6.323 -8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 19 17.251 -7.490 -10.731 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.359 -6.295 -11.376 1.00 0.00 H new ATOM 0 HD1 TYR A 19 18.112 -8.632 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 19 20.634 -6.798 -11.342 1.00 0.00 H new ATOM 0 HE1 TYR A 19 20.020 -9.920 -7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.546 -8.076 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 19 23.273 -9.559 -9.023 1.00 0.00 H new ATOM 300 N LEU A 20 19.152 -3.987 -9.627 1.00 0.00 N ATOM 301 CA LEU A 20 20.213 -3.107 -9.202 1.00 0.00 C ATOM 302 C LEU A 20 19.792 -2.306 -7.991 1.00 0.00 C ATOM 303 O LEU A 20 20.467 -2.282 -6.960 1.00 0.00 O ATOM 304 CB LEU A 20 20.546 -2.163 -10.338 1.00 0.00 C ATOM 305 CG LEU A 20 20.880 -2.828 -11.662 1.00 0.00 C ATOM 306 CD1 LEU A 20 21.306 -1.790 -12.684 1.00 0.00 C ATOM 307 CD2 LEU A 20 21.958 -3.877 -11.468 1.00 0.00 C ATOM 0 H LEU A 20 18.779 -3.772 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 20 21.085 -3.704 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.700 -1.493 -10.491 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.392 -1.545 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 20 19.987 -3.326 -12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.542 -2.283 -13.627 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.495 -1.078 -12.840 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.187 -1.262 -12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.187 -4.345 -12.425 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.857 -3.406 -11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.606 -4.635 -10.768 1.00 0.00 H new ATOM 319 N THR A 21 18.669 -1.648 -8.138 1.00 0.00 N ATOM 320 CA THR A 21 18.166 -0.751 -7.141 1.00 0.00 C ATOM 321 C THR A 21 16.953 -1.316 -6.395 1.00 0.00 C ATOM 322 O THR A 21 15.807 -1.120 -6.796 1.00 0.00 O ATOM 323 CB THR A 21 17.812 0.563 -7.819 1.00 0.00 C ATOM 324 OG1 THR A 21 16.916 0.330 -8.916 1.00 0.00 O ATOM 325 CG2 THR A 21 19.072 1.248 -8.322 1.00 0.00 C ATOM 0 H THR A 21 18.076 -1.725 -8.964 1.00 0.00 H new ATOM 0 HA THR A 21 18.940 -0.601 -6.388 1.00 0.00 H new ATOM 0 HB THR A 21 17.321 1.209 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.992 0.467 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 21 18.807 2.188 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 19.738 1.447 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 21 19.577 0.601 -9.039 1.00 0.00 H new ATOM 333 N GLY A 22 17.217 -2.030 -5.313 1.00 0.00 N ATOM 334 CA GLY A 22 16.148 -2.470 -4.438 1.00 0.00 C ATOM 335 C GLY A 22 16.185 -1.711 -3.132 1.00 0.00 C ATOM 336 O GLY A 22 16.972 -0.767 -3.003 1.00 0.00 O ATOM 0 H GLY A 22 18.153 -2.314 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.185 -2.318 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.244 -3.539 -4.247 1.00 0.00 H new ATOM 340 N TRP A 23 15.328 -2.092 -2.177 1.00 0.00 N ATOM 341 CA TRP A 23 15.364 -1.532 -0.821 1.00 0.00 C ATOM 342 C TRP A 23 14.818 -0.094 -0.771 1.00 0.00 C ATOM 343 O TRP A 23 14.565 0.432 0.307 1.00 0.00 O ATOM 344 CB TRP A 23 16.813 -1.620 -0.281 1.00 0.00 C ATOM 345 CG TRP A 23 17.119 -0.748 0.903 1.00 0.00 C ATOM 346 CD1 TRP A 23 17.039 -1.088 2.221 1.00 0.00 C ATOM 347 CD2 TRP A 23 17.572 0.611 0.864 1.00 0.00 C ATOM 348 NE1 TRP A 23 17.406 -0.018 3.005 1.00 0.00 N ATOM 349 CE2 TRP A 23 17.733 1.036 2.193 1.00 0.00 C ATOM 350 CE3 TRP A 23 17.847 1.511 -0.169 1.00 0.00 C ATOM 351 CZ2 TRP A 23 18.161 2.321 2.517 1.00 0.00 C ATOM 352 CZ3 TRP A 23 18.271 2.784 0.153 1.00 0.00 C ATOM 353 CH2 TRP A 23 18.424 3.180 1.486 1.00 0.00 C ATOM 0 H TRP A 23 14.598 -2.790 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 23 14.706 -2.118 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 23 17.018 -2.656 -0.009 1.00 0.00 H new ATOM 0 HB3 TRP A 23 17.499 -1.360 -1.088 1.00 0.00 H new ATOM 0 HD1 TRP A 23 16.733 -2.054 2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 23 17.431 -0.011 4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.730 1.215 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 18.281 2.628 3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.488 3.487 -0.638 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.756 4.184 1.705 1.00 0.00 H new ATOM 364 N GLN A 24 14.579 0.497 -1.943 1.00 0.00 N ATOM 365 CA GLN A 24 14.239 1.923 -2.075 1.00 0.00 C ATOM 366 C GLN A 24 13.119 2.356 -1.131 1.00 0.00 C ATOM 367 O GLN A 24 11.948 2.111 -1.415 1.00 0.00 O ATOM 368 CB GLN A 24 13.792 2.221 -3.511 1.00 0.00 C ATOM 369 CG GLN A 24 14.838 1.919 -4.565 1.00 0.00 C ATOM 370 CD GLN A 24 16.073 2.783 -4.418 1.00 0.00 C ATOM 371 OE1 GLN A 24 15.994 3.934 -3.985 1.00 0.00 O ATOM 372 NE2 GLN A 24 17.221 2.229 -4.763 1.00 0.00 N ATOM 0 H GLN A 24 14.615 0.002 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 24 15.139 2.480 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.896 1.640 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.515 3.273 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.123 0.869 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.407 2.071 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 24 17.240 1.273 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.089 2.757 -4.675 1.00 0.00 H new ATOM 381 N PRO A 25 13.434 3.035 -0.013 1.00 0.00 N ATOM 382 CA PRO A 25 12.405 3.536 0.875 1.00 0.00 C ATOM 383 C PRO A 25 11.725 4.736 0.252 1.00 0.00 C ATOM 384 O PRO A 25 12.310 5.817 0.144 1.00 0.00 O ATOM 385 CB PRO A 25 13.152 3.938 2.154 1.00 0.00 C ATOM 386 CG PRO A 25 14.571 3.518 1.952 1.00 0.00 C ATOM 387 CD PRO A 25 14.777 3.378 0.466 1.00 0.00 C ATOM 0 HA PRO A 25 11.627 2.799 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.084 5.012 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.721 3.449 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.256 4.256 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.771 2.575 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 25 15.143 4.302 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 25 15.503 2.600 0.229 1.00 0.00 H new ATOM 395 N ARG A 26 10.502 4.535 -0.180 1.00 0.00 N ATOM 396 CA ARG A 26 9.736 5.585 -0.812 1.00 0.00 C ATOM 397 C ARG A 26 8.435 5.751 -0.060 1.00 0.00 C ATOM 398 O ARG A 26 7.859 4.771 0.413 1.00 0.00 O ATOM 399 CB ARG A 26 9.473 5.236 -2.278 1.00 0.00 C ATOM 400 CG ARG A 26 10.742 4.975 -3.081 1.00 0.00 C ATOM 401 CD ARG A 26 11.592 6.230 -3.228 1.00 0.00 C ATOM 402 NE ARG A 26 12.895 5.939 -3.829 1.00 0.00 N ATOM 403 CZ ARG A 26 13.643 6.833 -4.480 1.00 0.00 C ATOM 404 NH1 ARG A 26 13.187 8.062 -4.706 1.00 0.00 N ATOM 405 NH2 ARG A 26 14.842 6.485 -4.932 1.00 0.00 N ATOM 0 H ARG A 26 10.011 3.644 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 26 10.293 6.522 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.836 4.353 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.920 6.052 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.327 4.196 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.475 4.600 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.062 6.957 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.737 6.687 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 26 13.256 4.989 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.258 8.329 -4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.767 8.737 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.189 5.538 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.416 7.165 -5.430 1.00 0.00 H new ATOM 419 N TRP A 27 7.980 6.981 0.069 1.00 0.00 N ATOM 420 CA TRP A 27 6.801 7.249 0.860 1.00 0.00 C ATOM 421 C TRP A 27 5.547 6.794 0.124 1.00 0.00 C ATOM 422 O TRP A 27 5.332 7.129 -1.042 1.00 0.00 O ATOM 423 CB TRP A 27 6.711 8.729 1.230 1.00 0.00 C ATOM 424 CG TRP A 27 5.477 9.031 2.011 1.00 0.00 C ATOM 425 CD1 TRP A 27 4.299 9.509 1.528 1.00 0.00 C ATOM 426 CD2 TRP A 27 5.287 8.842 3.412 1.00 0.00 C ATOM 427 NE1 TRP A 27 3.386 9.612 2.537 1.00 0.00 N ATOM 428 CE2 TRP A 27 3.968 9.221 3.702 1.00 0.00 C ATOM 429 CE3 TRP A 27 6.105 8.391 4.447 1.00 0.00 C ATOM 430 CZ2 TRP A 27 3.437 9.163 4.973 1.00 0.00 C ATOM 431 CZ3 TRP A 27 5.582 8.327 5.722 1.00 0.00 C ATOM 432 CH2 TRP A 27 4.257 8.711 5.980 1.00 0.00 C ATOM 0 H TRP A 27 8.406 7.803 -0.360 1.00 0.00 H new ATOM 0 HA TRP A 27 6.878 6.680 1.786 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.588 9.012 1.812 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.723 9.332 0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.113 9.769 0.496 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.423 9.931 2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.127 8.098 4.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.418 9.461 5.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 6.202 7.976 6.534 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.874 8.650 6.988 1.00 0.00 H new ATOM 443 N PHE A 28 4.734 6.023 0.819 1.00 0.00 N ATOM 444 CA PHE A 28 3.520 5.463 0.258 1.00 0.00 C ATOM 445 C PHE A 28 2.355 5.752 1.196 1.00 0.00 C ATOM 446 O PHE A 28 2.529 5.738 2.414 1.00 0.00 O ATOM 447 CB PHE A 28 3.702 3.949 0.107 1.00 0.00 C ATOM 448 CG PHE A 28 3.563 3.429 -1.293 1.00 0.00 C ATOM 449 CD1 PHE A 28 4.119 4.099 -2.370 1.00 0.00 C ATOM 450 CD2 PHE A 28 2.875 2.256 -1.526 1.00 0.00 C ATOM 451 CE1 PHE A 28 3.979 3.601 -3.654 1.00 0.00 C ATOM 452 CE2 PHE A 28 2.731 1.757 -2.800 1.00 0.00 C ATOM 453 CZ PHE A 28 3.282 2.431 -3.869 1.00 0.00 C ATOM 0 H PHE A 28 4.897 5.766 1.793 1.00 0.00 H new ATOM 0 HA PHE A 28 3.314 5.907 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.689 3.678 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.971 3.446 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.665 5.016 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.442 1.720 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.416 4.130 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.187 0.838 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.168 2.044 -4.871 1.00 0.00 H new ATOM 463 N VAL A 29 1.177 6.048 0.661 1.00 0.00 N ATOM 464 CA VAL A 29 0.005 6.162 1.506 1.00 0.00 C ATOM 465 C VAL A 29 -1.285 5.805 0.770 1.00 0.00 C ATOM 466 O VAL A 29 -1.535 6.230 -0.361 1.00 0.00 O ATOM 467 CB VAL A 29 -0.088 7.533 2.235 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.262 8.706 1.373 1.00 0.00 C ATOM 469 CG2 VAL A 29 -1.458 7.747 2.834 1.00 0.00 C ATOM 0 H VAL A 29 1.013 6.210 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 29 0.131 5.414 2.289 1.00 0.00 H new ATOM 0 HB VAL A 29 0.661 7.480 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.173 9.624 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.286 8.601 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.418 8.748 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.489 8.714 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.208 7.724 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.667 6.957 3.555 1.00 0.00 H new ATOM 479 N LEU A 30 -2.074 4.994 1.457 1.00 0.00 N ATOM 480 CA LEU A 30 -3.293 4.404 0.976 1.00 0.00 C ATOM 481 C LEU A 30 -4.479 5.290 1.356 1.00 0.00 C ATOM 482 O LEU A 30 -4.707 5.560 2.533 1.00 0.00 O ATOM 483 CB LEU A 30 -3.332 3.021 1.654 1.00 0.00 C ATOM 484 CG LEU A 30 -4.584 2.155 1.546 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.723 2.682 2.403 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.014 1.998 0.098 1.00 0.00 C ATOM 0 H LEU A 30 -1.861 4.721 2.416 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.343 4.306 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.500 2.440 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.134 3.174 2.715 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.326 1.169 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.592 2.033 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.414 2.700 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.982 3.692 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.908 1.377 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.230 2.979 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.213 1.526 -0.470 1.00 0.00 H new ATOM 498 N ASP A 31 -5.201 5.767 0.350 1.00 0.00 N ATOM 499 CA ASP A 31 -6.363 6.626 0.564 1.00 0.00 C ATOM 500 C ASP A 31 -7.548 6.131 -0.240 1.00 0.00 C ATOM 501 O ASP A 31 -7.542 6.185 -1.471 1.00 0.00 O ATOM 502 CB ASP A 31 -6.045 8.075 0.176 1.00 0.00 C ATOM 503 CG ASP A 31 -7.256 8.989 0.273 1.00 0.00 C ATOM 504 OD1 ASP A 31 -7.600 9.413 1.391 1.00 0.00 O ATOM 505 OD2 ASP A 31 -7.868 9.294 -0.771 1.00 0.00 O ATOM 0 H ASP A 31 -5.001 5.572 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.615 6.592 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.255 8.455 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.659 8.097 -0.843 1.00 0.00 H new ATOM 510 N ASN A 32 -8.550 5.625 0.471 1.00 0.00 N ATOM 511 CA ASN A 32 -9.782 5.136 -0.135 1.00 0.00 C ATOM 512 C ASN A 32 -9.510 4.043 -1.163 1.00 0.00 C ATOM 513 O ASN A 32 -10.284 3.845 -2.104 1.00 0.00 O ATOM 514 CB ASN A 32 -10.556 6.282 -0.776 1.00 0.00 C ATOM 515 CG ASN A 32 -11.128 7.246 0.239 1.00 0.00 C ATOM 516 OD1 ASN A 32 -11.433 6.874 1.372 1.00 0.00 O ATOM 517 ND2 ASN A 32 -11.291 8.490 -0.167 1.00 0.00 N ATOM 0 H ASN A 32 -8.530 5.542 1.487 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.387 4.701 0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.897 6.825 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.367 5.874 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.683 9.186 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.025 8.756 -1.115 1.00 0.00 H new ATOM 524 N GLY A 33 -8.407 3.338 -0.982 1.00 0.00 N ATOM 525 CA GLY A 33 -8.039 2.287 -1.901 1.00 0.00 C ATOM 526 C GLY A 33 -6.912 2.696 -2.821 1.00 0.00 C ATOM 527 O GLY A 33 -6.152 1.857 -3.299 1.00 0.00 O ATOM 0 H GLY A 33 -7.756 3.477 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.742 1.403 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.908 2.008 -2.497 1.00 0.00 H new ATOM 531 N ILE A 34 -6.811 3.981 -3.097 1.00 0.00 N ATOM 532 CA ILE A 34 -5.772 4.499 -3.926 1.00 0.00 C ATOM 533 C ILE A 34 -4.487 4.666 -3.127 1.00 0.00 C ATOM 534 O ILE A 34 -4.373 5.521 -2.248 1.00 0.00 O ATOM 535 CB ILE A 34 -6.236 5.831 -4.534 1.00 0.00 C ATOM 536 CG1 ILE A 34 -7.244 5.605 -5.668 1.00 0.00 C ATOM 537 CG2 ILE A 34 -5.054 6.625 -5.036 1.00 0.00 C ATOM 538 CD1 ILE A 34 -8.226 4.477 -5.449 1.00 0.00 C ATOM 0 H ILE A 34 -7.456 4.688 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.560 3.800 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.734 6.399 -3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.805 6.527 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.692 5.410 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.402 7.565 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.376 6.832 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.529 6.052 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.892 4.403 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.683 3.540 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.812 4.674 -4.551 1.00 0.00 H new ATOM 550 N LEU A 35 -3.544 3.807 -3.428 1.00 0.00 N ATOM 551 CA LEU A 35 -2.240 3.812 -2.792 1.00 0.00 C ATOM 552 C LEU A 35 -1.279 4.616 -3.665 1.00 0.00 C ATOM 553 O LEU A 35 -0.861 4.149 -4.715 1.00 0.00 O ATOM 554 CB LEU A 35 -1.746 2.364 -2.651 1.00 0.00 C ATOM 555 CG LEU A 35 -0.968 2.027 -1.377 1.00 0.00 C ATOM 556 CD1 LEU A 35 -0.209 0.724 -1.556 1.00 0.00 C ATOM 557 CD2 LEU A 35 -0.038 3.158 -0.976 1.00 0.00 C ATOM 0 H LEU A 35 -3.657 3.075 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.296 4.264 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.610 1.702 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.112 2.135 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.683 1.900 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.341 0.495 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.913 -0.081 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.491 0.822 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.498 2.884 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.677 3.342 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.621 4.061 -0.795 1.00 0.00 H new ATOM 569 N SER A 36 -0.906 5.806 -3.231 1.00 0.00 N ATOM 570 CA SER A 36 -0.171 6.715 -4.102 1.00 0.00 C ATOM 571 C SER A 36 1.313 6.747 -3.750 1.00 0.00 C ATOM 572 O SER A 36 1.707 6.377 -2.640 1.00 0.00 O ATOM 573 CB SER A 36 -0.760 8.122 -4.004 1.00 0.00 C ATOM 574 OG SER A 36 -2.150 8.121 -4.283 1.00 0.00 O ATOM 0 H SER A 36 -1.095 6.165 -2.295 1.00 0.00 H new ATOM 0 HA SER A 36 -0.266 6.351 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.588 8.521 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.247 8.782 -4.703 1.00 0.00 H new ATOM 0 HG SER A 36 -2.499 9.034 -4.211 1.00 0.00 H new ATOM 580 N TYR A 37 2.125 7.205 -4.703 1.00 0.00 N ATOM 581 CA TYR A 37 3.574 7.184 -4.557 1.00 0.00 C ATOM 582 C TYR A 37 4.129 8.582 -4.352 1.00 0.00 C ATOM 583 O TYR A 37 3.783 9.525 -5.072 1.00 0.00 O ATOM 584 CB TYR A 37 4.228 6.553 -5.791 1.00 0.00 C ATOM 585 CG TYR A 37 5.740 6.674 -5.818 1.00 0.00 C ATOM 586 CD1 TYR A 37 6.545 5.761 -5.150 1.00 0.00 C ATOM 587 CD2 TYR A 37 6.363 7.706 -6.510 1.00 0.00 C ATOM 588 CE1 TYR A 37 7.920 5.874 -5.170 1.00 0.00 C ATOM 589 CE2 TYR A 37 7.739 7.827 -6.532 1.00 0.00 C ATOM 590 CZ TYR A 37 8.512 6.908 -5.860 1.00 0.00 C ATOM 591 OH TYR A 37 9.885 7.024 -5.874 1.00 0.00 O ATOM 0 H TYR A 37 1.798 7.596 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 37 3.806 6.585 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.957 5.498 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.820 7.023 -6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.087 4.948 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.760 8.427 -7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.530 5.153 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.205 8.637 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 37 10.144 7.892 -5.500 1.00 0.00 H new ATOM 601 N TYR A 38 5.002 8.691 -3.368 1.00 0.00 N ATOM 602 CA TYR A 38 5.644 9.945 -3.021 1.00 0.00 C ATOM 603 C TYR A 38 7.105 9.678 -2.688 1.00 0.00 C ATOM 604 O TYR A 38 7.502 8.530 -2.480 1.00 0.00 O ATOM 605 CB TYR A 38 4.953 10.579 -1.812 1.00 0.00 C ATOM 606 CG TYR A 38 3.443 10.578 -1.901 1.00 0.00 C ATOM 607 CD1 TYR A 38 2.769 11.561 -2.605 1.00 0.00 C ATOM 608 CD2 TYR A 38 2.692 9.586 -1.284 1.00 0.00 C ATOM 609 CE1 TYR A 38 1.391 11.561 -2.690 1.00 0.00 C ATOM 610 CE2 TYR A 38 1.317 9.578 -1.361 1.00 0.00 C ATOM 611 CZ TYR A 38 0.669 10.570 -2.064 1.00 0.00 C ATOM 612 OH TYR A 38 -0.706 10.568 -2.145 1.00 0.00 O ATOM 0 H TYR A 38 5.288 7.906 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 38 5.572 10.631 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.255 10.044 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.300 11.606 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.331 12.342 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.196 8.806 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.882 12.335 -3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.750 8.799 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.984 10.974 -2.993 1.00 0.00 H new ATOM 622 N ASP A 39 7.908 10.726 -2.641 1.00 0.00 N ATOM 623 CA ASP A 39 9.324 10.570 -2.325 1.00 0.00 C ATOM 624 C ASP A 39 9.654 11.147 -0.957 1.00 0.00 C ATOM 625 O ASP A 39 10.823 11.222 -0.575 1.00 0.00 O ATOM 626 CB ASP A 39 10.200 11.227 -3.389 1.00 0.00 C ATOM 627 CG ASP A 39 10.189 10.472 -4.703 1.00 0.00 C ATOM 628 OD1 ASP A 39 10.782 9.372 -4.773 1.00 0.00 O ATOM 629 OD2 ASP A 39 9.605 10.982 -5.680 1.00 0.00 O ATOM 0 H ASP A 39 7.612 11.686 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 39 9.534 9.500 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.856 12.247 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.224 11.293 -3.021 1.00 0.00 H new ATOM 634 N SER A 40 8.625 11.558 -0.226 1.00 0.00 N ATOM 635 CA SER A 40 8.804 12.117 1.108 1.00 0.00 C ATOM 636 C SER A 40 7.444 12.353 1.768 1.00 0.00 C ATOM 637 O SER A 40 6.413 12.354 1.096 1.00 0.00 O ATOM 638 CB SER A 40 9.592 13.431 1.024 1.00 0.00 C ATOM 639 OG SER A 40 9.995 13.878 2.307 1.00 0.00 O ATOM 0 H SER A 40 7.654 11.514 -0.536 1.00 0.00 H new ATOM 0 HA SER A 40 9.367 11.409 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.470 13.290 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.978 14.195 0.548 1.00 0.00 H new ATOM 0 HG SER A 40 9.439 14.638 2.578 1.00 0.00 H new ATOM 645 N GLN A 41 7.456 12.555 3.083 1.00 0.00 N ATOM 646 CA GLN A 41 6.229 12.741 3.856 1.00 0.00 C ATOM 647 C GLN A 41 5.669 14.156 3.674 1.00 0.00 C ATOM 648 O GLN A 41 4.532 14.440 4.041 1.00 0.00 O ATOM 649 CB GLN A 41 6.493 12.442 5.338 1.00 0.00 C ATOM 650 CG GLN A 41 5.264 12.561 6.219 1.00 0.00 C ATOM 651 CD GLN A 41 5.559 12.309 7.662 1.00 0.00 C ATOM 652 OE1 GLN A 41 5.925 13.214 8.411 1.00 0.00 O ATOM 653 NE2 GLN A 41 5.385 11.085 8.067 1.00 0.00 N ATOM 0 H GLN A 41 8.309 12.594 3.640 1.00 0.00 H new ATOM 0 HA GLN A 41 5.478 12.042 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.896 11.433 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.259 13.125 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.839 13.559 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.508 11.853 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.080 10.368 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.553 10.842 9.043 1.00 0.00 H new ATOM 662 N ASP A 42 6.472 15.047 3.117 1.00 0.00 N ATOM 663 CA ASP A 42 5.997 16.376 2.749 1.00 0.00 C ATOM 664 C ASP A 42 5.480 16.366 1.318 1.00 0.00 C ATOM 665 O ASP A 42 4.749 17.260 0.892 1.00 0.00 O ATOM 666 CB ASP A 42 7.112 17.408 2.892 1.00 0.00 C ATOM 667 CG ASP A 42 8.327 17.090 2.047 1.00 0.00 C ATOM 668 OD1 ASP A 42 9.149 16.263 2.483 1.00 0.00 O ATOM 669 OD2 ASP A 42 8.464 17.664 0.949 1.00 0.00 O ATOM 0 H ASP A 42 7.456 14.877 2.909 1.00 0.00 H new ATOM 0 HA ASP A 42 5.185 16.650 3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.729 18.389 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.410 17.469 3.939 1.00 0.00 H new ATOM 674 N ASP A 43 5.866 15.329 0.595 1.00 0.00 N ATOM 675 CA ASP A 43 5.543 15.173 -0.819 1.00 0.00 C ATOM 676 C ASP A 43 4.113 14.656 -0.995 1.00 0.00 C ATOM 677 O ASP A 43 3.545 14.724 -2.081 1.00 0.00 O ATOM 678 CB ASP A 43 6.561 14.222 -1.458 1.00 0.00 C ATOM 679 CG ASP A 43 6.424 14.098 -2.961 1.00 0.00 C ATOM 680 OD1 ASP A 43 6.252 15.135 -3.638 1.00 0.00 O ATOM 681 OD2 ASP A 43 6.537 12.967 -3.473 1.00 0.00 O ATOM 0 H ASP A 43 6.419 14.561 0.975 1.00 0.00 H new ATOM 0 HA ASP A 43 5.598 16.141 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.567 14.570 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.452 13.234 -1.010 1.00 0.00 H new ATOM 686 N VAL A 44 3.552 14.153 0.108 1.00 0.00 N ATOM 687 CA VAL A 44 2.243 13.517 0.163 1.00 0.00 C ATOM 688 C VAL A 44 1.135 14.273 -0.582 1.00 0.00 C ATOM 689 O VAL A 44 0.183 13.665 -1.074 1.00 0.00 O ATOM 690 CB VAL A 44 1.841 13.369 1.639 1.00 0.00 C ATOM 691 CG1 VAL A 44 0.477 12.759 1.773 1.00 0.00 C ATOM 692 CG2 VAL A 44 2.856 12.536 2.382 1.00 0.00 C ATOM 0 H VAL A 44 4.017 14.181 1.016 1.00 0.00 H new ATOM 0 HA VAL A 44 2.341 12.556 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 44 1.812 14.367 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.221 12.667 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.256 13.394 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.473 11.771 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.555 12.442 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.915 11.546 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.832 13.018 2.328 1.00 0.00 H new ATOM 702 N CYS A 45 1.245 15.581 -0.660 1.00 0.00 N ATOM 703 CA CYS A 45 0.205 16.380 -1.279 1.00 0.00 C ATOM 704 C CYS A 45 0.135 16.177 -2.791 1.00 0.00 C ATOM 705 O CYS A 45 -0.952 16.163 -3.367 1.00 0.00 O ATOM 706 CB CYS A 45 0.420 17.847 -0.947 1.00 0.00 C ATOM 707 SG CYS A 45 2.149 18.365 -1.026 1.00 0.00 S ATOM 0 H CYS A 45 2.039 16.114 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.751 16.049 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.164 18.456 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.037 18.044 0.054 1.00 0.00 H new ATOM 0 HG CYS A 45 2.803 17.849 -0.028 1.00 0.00 H new ATOM 713 N LYS A 46 1.284 16.016 -3.436 1.00 0.00 N ATOM 714 CA LYS A 46 1.318 15.894 -4.889 1.00 0.00 C ATOM 715 C LYS A 46 1.986 14.591 -5.303 1.00 0.00 C ATOM 716 O LYS A 46 1.381 13.758 -5.983 1.00 0.00 O ATOM 717 CB LYS A 46 2.055 17.077 -5.517 1.00 0.00 C ATOM 718 CG LYS A 46 1.681 18.425 -4.915 1.00 0.00 C ATOM 719 CD LYS A 46 0.192 18.713 -5.026 1.00 0.00 C ATOM 720 CE LYS A 46 -0.154 20.093 -4.492 1.00 0.00 C ATOM 721 NZ LYS A 46 -1.616 20.360 -4.553 1.00 0.00 N ATOM 0 H LYS A 46 2.196 15.967 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 46 0.289 15.893 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.129 16.925 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.846 17.097 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.976 18.446 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.240 19.213 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.117 18.638 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.367 17.958 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.188 20.180 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.378 20.850 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.811 21.311 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.939 20.302 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.122 19.653 -3.982 1.00 0.00 H new ATOM 735 N GLY A 47 3.230 14.418 -4.884 1.00 0.00 N ATOM 736 CA GLY A 47 3.973 13.228 -5.233 1.00 0.00 C ATOM 737 C GLY A 47 4.288 13.161 -6.707 1.00 0.00 C ATOM 738 O GLY A 47 4.466 14.191 -7.363 1.00 0.00 O ATOM 0 H GLY A 47 3.740 15.085 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.902 13.203 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.399 12.347 -4.946 1.00 0.00 H new ATOM 742 N SER A 48 4.349 11.949 -7.232 1.00 0.00 N ATOM 743 CA SER A 48 4.594 11.741 -8.648 1.00 0.00 C ATOM 744 C SER A 48 3.283 11.724 -9.420 1.00 0.00 C ATOM 745 O SER A 48 3.264 11.487 -10.629 1.00 0.00 O ATOM 746 CB SER A 48 5.329 10.427 -8.858 1.00 0.00 C ATOM 747 OG SER A 48 6.599 10.448 -8.229 1.00 0.00 O ATOM 0 H SER A 48 4.231 11.090 -6.695 1.00 0.00 H new ATOM 0 HA SER A 48 5.208 12.563 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.735 9.606 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.451 10.241 -9.925 1.00 0.00 H new ATOM 0 HG SER A 48 6.770 9.580 -7.807 1.00 0.00 H new ATOM 753 N LYS A 49 2.197 11.945 -8.686 1.00 0.00 N ATOM 754 CA LYS A 49 0.833 11.959 -9.224 1.00 0.00 C ATOM 755 C LYS A 49 0.325 10.547 -9.518 1.00 0.00 C ATOM 756 O LYS A 49 -0.863 10.263 -9.369 1.00 0.00 O ATOM 757 CB LYS A 49 0.728 12.826 -10.465 1.00 0.00 C ATOM 758 CG LYS A 49 -0.085 14.066 -10.229 1.00 0.00 C ATOM 759 CD LYS A 49 0.617 15.032 -9.301 1.00 0.00 C ATOM 760 CE LYS A 49 0.083 16.406 -9.543 1.00 0.00 C ATOM 761 NZ LYS A 49 0.744 17.437 -8.705 1.00 0.00 N ATOM 0 H LYS A 49 2.236 12.123 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 49 0.198 12.393 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.728 13.108 -10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.278 12.248 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.283 14.557 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.051 13.792 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.456 14.742 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.693 15.009 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.213 16.661 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.989 16.415 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.657 18.366 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.289 17.469 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.750 17.200 -8.592 1.00 0.00 H new ATOM 775 N GLY A 50 1.230 9.675 -9.948 1.00 0.00 N ATOM 776 CA GLY A 50 0.883 8.287 -10.183 1.00 0.00 C ATOM 777 C GLY A 50 0.466 7.583 -8.909 1.00 0.00 C ATOM 778 O GLY A 50 1.044 7.816 -7.842 1.00 0.00 O ATOM 0 H GLY A 50 2.205 9.908 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.071 8.234 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.736 7.769 -10.621 1.00 0.00 H new ATOM 782 N SER A 51 -0.535 6.725 -9.010 1.00 0.00 N ATOM 783 CA SER A 51 -1.064 6.050 -7.843 1.00 0.00 C ATOM 784 C SER A 51 -1.555 4.650 -8.185 1.00 0.00 C ATOM 785 O SER A 51 -1.981 4.376 -9.310 1.00 0.00 O ATOM 786 CB SER A 51 -2.197 6.877 -7.234 1.00 0.00 C ATOM 787 OG SER A 51 -3.189 7.187 -8.199 1.00 0.00 O ATOM 0 H SER A 51 -0.995 6.481 -9.887 1.00 0.00 H new ATOM 0 HA SER A 51 -0.260 5.949 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.649 6.326 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.793 7.799 -6.817 1.00 0.00 H new ATOM 0 HG SER A 51 -3.900 7.714 -7.779 1.00 0.00 H new ATOM 793 N ILE A 52 -1.468 3.771 -7.205 1.00 0.00 N ATOM 794 CA ILE A 52 -1.949 2.430 -7.302 1.00 0.00 C ATOM 795 C ILE A 52 -3.407 2.339 -6.910 1.00 0.00 C ATOM 796 O ILE A 52 -3.805 2.748 -5.826 1.00 0.00 O ATOM 797 CB ILE A 52 -1.121 1.568 -6.361 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.127 1.146 -7.058 1.00 0.00 C ATOM 799 CG2 ILE A 52 -1.876 0.370 -5.865 1.00 0.00 C ATOM 800 CD1 ILE A 52 1.115 0.503 -6.137 1.00 0.00 C ATOM 0 H ILE A 52 -1.048 3.988 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.859 2.089 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.877 2.166 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.126 0.449 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.587 2.015 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.239 -0.211 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.764 0.698 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.174 -0.249 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.004 0.216 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.393 1.207 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.669 -0.384 -5.687 1.00 0.00 H new ATOM 812 N LYS A 53 -4.202 1.819 -7.801 1.00 0.00 N ATOM 813 CA LYS A 53 -5.561 1.533 -7.493 1.00 0.00 C ATOM 814 C LYS A 53 -5.700 0.076 -7.093 1.00 0.00 C ATOM 815 O LYS A 53 -5.988 -0.788 -7.921 1.00 0.00 O ATOM 816 CB LYS A 53 -6.401 1.861 -8.696 1.00 0.00 C ATOM 817 CG LYS A 53 -6.389 3.340 -9.018 1.00 0.00 C ATOM 818 CD LYS A 53 -7.634 3.758 -9.761 1.00 0.00 C ATOM 819 CE LYS A 53 -8.857 3.720 -8.866 1.00 0.00 C ATOM 820 NZ LYS A 53 -10.068 4.233 -9.557 1.00 0.00 N ATOM 0 H LYS A 53 -3.922 1.585 -8.754 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.902 2.137 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.034 1.301 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.427 1.538 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.306 3.913 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.510 3.575 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.502 4.766 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.787 3.099 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.034 2.696 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.671 4.315 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.881 4.190 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.910 5.219 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.262 3.650 -10.396 1.00 0.00 H new ATOM 834 N MET A 54 -5.515 -0.174 -5.806 1.00 0.00 N ATOM 835 CA MET A 54 -5.463 -1.535 -5.282 1.00 0.00 C ATOM 836 C MET A 54 -6.876 -2.083 -5.132 1.00 0.00 C ATOM 837 O MET A 54 -7.069 -3.266 -4.896 1.00 0.00 O ATOM 838 CB MET A 54 -4.718 -1.546 -3.931 1.00 0.00 C ATOM 839 CG MET A 54 -5.504 -0.921 -2.800 1.00 0.00 C ATOM 840 SD MET A 54 -6.596 -2.090 -1.974 1.00 0.00 S ATOM 841 CE MET A 54 -7.651 -0.967 -1.070 1.00 0.00 C ATOM 0 H MET A 54 -5.397 0.552 -5.099 1.00 0.00 H new ATOM 0 HA MET A 54 -4.920 -2.175 -5.977 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.475 -2.576 -3.668 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.773 -1.014 -4.043 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.811 -0.502 -2.071 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.095 -0.093 -3.190 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.329 -1.537 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.039 -0.311 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.230 -0.367 -1.772 1.00 0.00 H new ATOM 851 N ALA A 55 -7.855 -1.200 -5.298 1.00 0.00 N ATOM 852 CA ALA A 55 -9.254 -1.549 -5.104 1.00 0.00 C ATOM 853 C ALA A 55 -9.843 -2.258 -6.320 1.00 0.00 C ATOM 854 O ALA A 55 -10.640 -3.186 -6.184 1.00 0.00 O ATOM 855 CB ALA A 55 -10.062 -0.300 -4.793 1.00 0.00 C ATOM 0 H ALA A 55 -7.701 -0.229 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.305 -2.241 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.108 -0.570 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.679 0.164 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.979 0.403 -5.622 1.00 0.00 H new ATOM 861 N VAL A 56 -9.455 -1.819 -7.512 1.00 0.00 N ATOM 862 CA VAL A 56 -10.040 -2.332 -8.740 1.00 0.00 C ATOM 863 C VAL A 56 -9.300 -3.590 -9.172 1.00 0.00 C ATOM 864 O VAL A 56 -9.799 -4.416 -9.940 1.00 0.00 O ATOM 865 CB VAL A 56 -10.015 -1.254 -9.852 1.00 0.00 C ATOM 866 CG1 VAL A 56 -9.421 0.052 -9.343 1.00 0.00 C ATOM 867 CG2 VAL A 56 -9.248 -1.729 -11.056 1.00 0.00 C ATOM 0 H VAL A 56 -8.737 -1.108 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.084 -2.589 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.049 -1.074 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.418 0.788 -10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.020 0.425 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.399 -0.120 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.249 -0.950 -11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.221 -1.954 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.718 -2.628 -11.455 1.00 0.00 H new ATOM 877 N CYS A 57 -8.127 -3.737 -8.614 1.00 0.00 N ATOM 878 CA CYS A 57 -7.255 -4.834 -8.919 1.00 0.00 C ATOM 879 C CYS A 57 -6.835 -5.466 -7.607 1.00 0.00 C ATOM 880 O CYS A 57 -7.573 -5.345 -6.637 1.00 0.00 O ATOM 881 CB CYS A 57 -6.073 -4.334 -9.726 1.00 0.00 C ATOM 882 SG CYS A 57 -6.507 -3.803 -11.398 1.00 0.00 S ATOM 0 H CYS A 57 -7.748 -3.087 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 57 -7.755 -5.588 -9.527 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.611 -3.500 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.326 -5.125 -9.788 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.495 -3.996 -12.191 1.00 0.00 H new ATOM 888 N GLU A 58 -5.677 -6.105 -7.538 1.00 0.00 N ATOM 889 CA GLU A 58 -5.380 -6.927 -6.384 1.00 0.00 C ATOM 890 C GLU A 58 -4.127 -6.480 -5.642 1.00 0.00 C ATOM 891 O GLU A 58 -3.135 -6.065 -6.246 1.00 0.00 O ATOM 892 CB GLU A 58 -5.236 -8.381 -6.822 1.00 0.00 C ATOM 893 CG GLU A 58 -4.887 -9.323 -5.693 1.00 0.00 C ATOM 894 CD GLU A 58 -6.002 -9.467 -4.674 1.00 0.00 C ATOM 895 OE1 GLU A 58 -6.265 -8.500 -3.928 1.00 0.00 O ATOM 896 OE2 GLU A 58 -6.632 -10.544 -4.622 1.00 0.00 O ATOM 0 H GLU A 58 -4.947 -6.071 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.211 -6.820 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.169 -8.707 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.464 -8.446 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.651 -10.304 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.989 -8.963 -5.192 1.00 0.00 H new ATOM 903 N ILE A 59 -4.191 -6.591 -4.322 1.00 0.00 N ATOM 904 CA ILE A 59 -3.041 -6.409 -3.475 1.00 0.00 C ATOM 905 C ILE A 59 -2.417 -7.786 -3.261 1.00 0.00 C ATOM 906 O ILE A 59 -3.043 -8.697 -2.710 1.00 0.00 O ATOM 907 CB ILE A 59 -3.406 -5.692 -2.125 1.00 0.00 C ATOM 908 CG1 ILE A 59 -2.809 -6.381 -0.910 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.907 -5.563 -1.928 1.00 0.00 C ATOM 910 CD1 ILE A 59 -1.302 -6.259 -0.793 1.00 0.00 C ATOM 0 H ILE A 59 -5.049 -6.811 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.319 -5.746 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.969 -4.697 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.265 -5.965 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.074 -7.438 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.108 -5.061 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.332 -4.980 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.359 -6.555 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.963 -6.780 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.832 -6.703 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.026 -5.207 -0.727 1.00 0.00 H new ATOM 922 N LYS A 60 -1.202 -7.944 -3.749 1.00 0.00 N ATOM 923 CA LYS A 60 -0.547 -9.238 -3.781 1.00 0.00 C ATOM 924 C LYS A 60 0.328 -9.425 -2.553 1.00 0.00 C ATOM 925 O LYS A 60 1.086 -8.541 -2.183 1.00 0.00 O ATOM 926 CB LYS A 60 0.295 -9.348 -5.053 1.00 0.00 C ATOM 927 CG LYS A 60 -0.470 -9.004 -6.311 1.00 0.00 C ATOM 928 CD LYS A 60 -1.392 -10.117 -6.733 1.00 0.00 C ATOM 929 CE LYS A 60 -0.644 -11.059 -7.628 1.00 0.00 C ATOM 930 NZ LYS A 60 -1.442 -12.259 -7.989 1.00 0.00 N ATOM 0 H LYS A 60 -0.643 -7.183 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.305 -10.021 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.157 -8.686 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.681 -10.364 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.050 -8.096 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.233 -8.791 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.767 -10.647 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.258 -9.711 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.351 -10.535 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.274 -11.374 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.879 -12.877 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.700 -12.777 -7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.306 -11.964 -8.487 1.00 0.00 H new ATOM 944 N VAL A 61 0.180 -10.555 -1.893 1.00 0.00 N ATOM 945 CA VAL A 61 1.030 -10.898 -0.764 1.00 0.00 C ATOM 946 C VAL A 61 1.342 -12.396 -0.829 1.00 0.00 C ATOM 947 O VAL A 61 0.432 -13.213 -1.003 1.00 0.00 O ATOM 948 CB VAL A 61 0.375 -10.513 0.597 1.00 0.00 C ATOM 949 CG1 VAL A 61 -0.905 -9.733 0.367 1.00 0.00 C ATOM 950 CG2 VAL A 61 0.120 -11.721 1.487 1.00 0.00 C ATOM 0 H VAL A 61 -0.524 -11.257 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 61 1.956 -10.326 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 61 1.087 -9.880 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.350 -9.472 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.681 -8.822 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.605 -10.343 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.337 -11.395 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.550 -12.413 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.064 -12.221 1.701 1.00 0.00 H new ATOM 960 N HIS A 62 2.613 -12.768 -0.754 1.00 0.00 N ATOM 961 CA HIS A 62 2.973 -14.181 -0.811 1.00 0.00 C ATOM 962 C HIS A 62 4.174 -14.509 0.065 1.00 0.00 C ATOM 963 O HIS A 62 3.996 -15.107 1.121 1.00 0.00 O ATOM 964 CB HIS A 62 3.269 -14.628 -2.246 1.00 0.00 C ATOM 965 CG HIS A 62 3.574 -16.098 -2.349 1.00 0.00 C ATOM 966 ND1 HIS A 62 4.822 -16.629 -2.090 1.00 0.00 N ATOM 967 CD2 HIS A 62 2.773 -17.152 -2.623 1.00 0.00 C ATOM 968 CE1 HIS A 62 4.770 -17.941 -2.190 1.00 0.00 C ATOM 969 NE2 HIS A 62 3.540 -18.285 -2.516 1.00 0.00 N ATOM 0 H HIS A 62 3.400 -12.126 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 62 2.107 -14.724 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.412 -14.394 -2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.115 -14.058 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.725 -17.110 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.595 -18.620 -2.032 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.211 -19.239 -2.665 1.00 0.00 H new ATOM 978 N SER A 63 5.372 -14.089 -0.397 1.00 0.00 N ATOM 979 CA SER A 63 6.677 -14.525 0.144 1.00 0.00 C ATOM 980 C SER A 63 6.572 -15.178 1.519 1.00 0.00 C ATOM 981 O SER A 63 6.292 -14.516 2.521 1.00 0.00 O ATOM 982 CB SER A 63 7.655 -13.349 0.174 1.00 0.00 C ATOM 983 OG SER A 63 7.814 -12.795 -1.124 1.00 0.00 O ATOM 0 H SER A 63 5.460 -13.427 -1.168 1.00 0.00 H new ATOM 0 HA SER A 63 7.055 -15.295 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.290 -12.584 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.621 -13.682 0.553 1.00 0.00 H new ATOM 0 HG SER A 63 8.442 -12.043 -1.084 1.00 0.00 H new ATOM 989 N ALA A 64 6.807 -16.488 1.539 1.00 0.00 N ATOM 990 CA ALA A 64 6.538 -17.326 2.703 1.00 0.00 C ATOM 991 C ALA A 64 7.565 -17.122 3.819 1.00 0.00 C ATOM 992 O ALA A 64 8.224 -18.066 4.261 1.00 0.00 O ATOM 993 CB ALA A 64 6.491 -18.785 2.271 1.00 0.00 C ATOM 0 H ALA A 64 7.191 -16.999 0.744 1.00 0.00 H new ATOM 0 HA ALA A 64 5.573 -17.032 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.290 -19.415 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.700 -18.921 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.449 -19.066 1.833 1.00 0.00 H new ATOM 999 N ASP A 65 7.680 -15.886 4.270 1.00 0.00 N ATOM 1000 CA ASP A 65 8.572 -15.517 5.357 1.00 0.00 C ATOM 1001 C ASP A 65 8.187 -14.113 5.810 1.00 0.00 C ATOM 1002 O ASP A 65 7.070 -13.671 5.538 1.00 0.00 O ATOM 1003 CB ASP A 65 10.037 -15.561 4.898 1.00 0.00 C ATOM 1004 CG ASP A 65 11.009 -15.782 6.044 1.00 0.00 C ATOM 1005 OD1 ASP A 65 11.321 -14.816 6.767 1.00 0.00 O ATOM 1006 OD2 ASP A 65 11.469 -16.928 6.227 1.00 0.00 O ATOM 0 H ASP A 65 7.152 -15.101 3.889 1.00 0.00 H new ATOM 0 HA ASP A 65 8.475 -16.221 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.159 -16.359 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.283 -14.626 4.395 1.00 0.00 H new ATOM 1011 N ASN A 66 9.084 -13.407 6.477 1.00 0.00 N ATOM 1012 CA ASN A 66 8.802 -12.040 6.898 1.00 0.00 C ATOM 1013 C ASN A 66 8.746 -11.126 5.675 1.00 0.00 C ATOM 1014 O ASN A 66 9.369 -11.428 4.658 1.00 0.00 O ATOM 1015 CB ASN A 66 9.862 -11.543 7.894 1.00 0.00 C ATOM 1016 CG ASN A 66 11.202 -11.200 7.255 1.00 0.00 C ATOM 1017 OD1 ASN A 66 11.597 -11.765 6.236 1.00 0.00 O ATOM 1018 ND2 ASN A 66 11.920 -10.273 7.865 1.00 0.00 N ATOM 0 H ASN A 66 10.008 -13.752 6.738 1.00 0.00 H new ATOM 0 HA ASN A 66 7.836 -12.022 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.479 -10.660 8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.019 -12.309 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.831 -10.007 7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.563 -9.824 8.708 1.00 0.00 H new ATOM 1025 N THR A 67 7.978 -10.033 5.772 1.00 0.00 N ATOM 1026 CA THR A 67 7.869 -9.040 4.695 1.00 0.00 C ATOM 1027 C THR A 67 7.448 -9.700 3.353 1.00 0.00 C ATOM 1028 O THR A 67 8.283 -10.225 2.620 1.00 0.00 O ATOM 1029 CB THR A 67 9.196 -8.234 4.527 1.00 0.00 C ATOM 1030 OG1 THR A 67 10.292 -9.081 4.175 1.00 0.00 O ATOM 1031 CG2 THR A 67 9.538 -7.473 5.804 1.00 0.00 C ATOM 0 H THR A 67 7.417 -9.813 6.595 1.00 0.00 H new ATOM 0 HA THR A 67 7.085 -8.338 4.981 1.00 0.00 H new ATOM 0 HB THR A 67 9.032 -7.525 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.955 -9.970 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.466 -6.920 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.733 -6.776 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.659 -8.178 6.626 1.00 0.00 H new ATOM 1039 N ARG A 68 6.147 -9.682 3.035 1.00 0.00 N ATOM 1040 CA ARG A 68 5.672 -10.177 1.732 1.00 0.00 C ATOM 1041 C ARG A 68 4.558 -9.289 1.159 1.00 0.00 C ATOM 1042 O ARG A 68 3.496 -9.158 1.767 1.00 0.00 O ATOM 1043 CB ARG A 68 5.176 -11.633 1.832 1.00 0.00 C ATOM 1044 CG ARG A 68 4.006 -11.857 2.787 1.00 0.00 C ATOM 1045 CD ARG A 68 4.477 -12.286 4.167 1.00 0.00 C ATOM 1046 NE ARG A 68 3.358 -12.489 5.089 1.00 0.00 N ATOM 1047 CZ ARG A 68 3.429 -13.221 6.201 1.00 0.00 C ATOM 1048 NH1 ARG A 68 4.562 -13.828 6.534 1.00 0.00 N ATOM 1049 NH2 ARG A 68 2.365 -13.343 6.982 1.00 0.00 N ATOM 0 H ARG A 68 5.412 -9.335 3.651 1.00 0.00 H new ATOM 0 HA ARG A 68 6.525 -10.142 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.882 -11.969 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.008 -12.262 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.424 -10.939 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.343 -12.618 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.050 -13.209 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.148 -11.529 4.573 1.00 0.00 H new ATOM 0 HE ARG A 68 2.468 -12.042 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.384 -13.736 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.610 -14.387 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.493 -12.877 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.418 -13.903 7.833 1.00 0.00 H new ATOM 1063 N MET A 69 4.804 -8.656 -0.002 1.00 0.00 N ATOM 1064 CA MET A 69 3.776 -7.826 -0.642 1.00 0.00 C ATOM 1065 C MET A 69 4.170 -7.336 -2.044 1.00 0.00 C ATOM 1066 O MET A 69 5.357 -7.137 -2.363 1.00 0.00 O ATOM 1067 CB MET A 69 3.440 -6.614 0.218 1.00 0.00 C ATOM 1068 CG MET A 69 4.153 -5.345 -0.218 1.00 0.00 C ATOM 1069 SD MET A 69 4.742 -4.347 1.155 1.00 0.00 S ATOM 1070 CE MET A 69 3.211 -4.032 2.004 1.00 0.00 C ATOM 0 H MET A 69 5.689 -8.703 -0.506 1.00 0.00 H new ATOM 0 HA MET A 69 2.906 -8.475 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.364 -6.445 0.189 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.701 -6.830 1.254 1.00 0.00 H new ATOM 0 HG2 MET A 69 4.999 -5.612 -0.852 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.475 -4.747 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.407 -3.451 2.905 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.541 -3.473 1.351 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.745 -4.979 2.277 1.00 0.00 H new ATOM 1080 N GLU A 70 3.132 -7.084 -2.840 1.00 0.00 N ATOM 1081 CA GLU A 70 3.241 -6.583 -4.205 1.00 0.00 C ATOM 1082 C GLU A 70 1.894 -5.956 -4.577 1.00 0.00 C ATOM 1083 O GLU A 70 0.903 -6.174 -3.881 1.00 0.00 O ATOM 1084 CB GLU A 70 3.590 -7.702 -5.214 1.00 0.00 C ATOM 1085 CG GLU A 70 4.106 -8.992 -4.589 1.00 0.00 C ATOM 1086 CD GLU A 70 4.708 -9.946 -5.597 1.00 0.00 C ATOM 1087 OE1 GLU A 70 3.947 -10.542 -6.387 1.00 0.00 O ATOM 1088 OE2 GLU A 70 5.949 -10.114 -5.595 1.00 0.00 O ATOM 0 H GLU A 70 2.167 -7.227 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 70 4.049 -5.853 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.701 -7.931 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.342 -7.325 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.856 -8.748 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.286 -9.490 -4.072 1.00 0.00 H new ATOM 1095 N LEU A 71 1.846 -5.171 -5.641 1.00 0.00 N ATOM 1096 CA LEU A 71 0.584 -4.583 -6.085 1.00 0.00 C ATOM 1097 C LEU A 71 0.395 -4.750 -7.587 1.00 0.00 C ATOM 1098 O LEU A 71 1.286 -4.446 -8.379 1.00 0.00 O ATOM 1099 CB LEU A 71 0.518 -3.092 -5.743 1.00 0.00 C ATOM 1100 CG LEU A 71 -0.680 -2.642 -4.898 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -1.985 -3.204 -5.431 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -0.491 -3.018 -3.447 1.00 0.00 C ATOM 0 H LEU A 71 2.655 -4.925 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.212 -5.111 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.431 -2.822 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.511 -2.527 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.735 -1.556 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.810 -2.863 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.138 -2.860 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.945 -4.293 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.355 -2.687 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.390 -4.100 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.408 -2.538 -3.061 1.00 0.00 H new ATOM 1114 N ILE A 72 -0.769 -5.239 -7.967 1.00 0.00 N ATOM 1115 CA ILE A 72 -1.158 -5.314 -9.352 1.00 0.00 C ATOM 1116 C ILE A 72 -2.363 -4.414 -9.567 1.00 0.00 C ATOM 1117 O ILE A 72 -3.369 -4.543 -8.876 1.00 0.00 O ATOM 1118 CB ILE A 72 -1.401 -6.785 -9.768 1.00 0.00 C ATOM 1119 CG1 ILE A 72 -2.606 -7.405 -9.102 1.00 0.00 C ATOM 1120 CG2 ILE A 72 -0.202 -7.605 -9.402 1.00 0.00 C ATOM 1121 CD1 ILE A 72 -3.854 -7.239 -9.904 1.00 0.00 C ATOM 0 H ILE A 72 -1.470 -5.595 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.359 -4.954 -10.000 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.581 -6.776 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.421 -8.467 -8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.747 -6.953 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.368 -8.642 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.675 -7.219 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.040 -7.552 -8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.689 -7.703 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.058 -6.177 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.728 -7.715 -10.876 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.227 -3.428 -10.453 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.274 -2.434 -10.627 1.00 0.00 C ATOM 1135 C ILE A 73 -3.536 -2.115 -12.110 1.00 0.00 C ATOM 1136 O ILE A 73 -2.859 -2.657 -12.986 1.00 0.00 O ATOM 1137 CB ILE A 73 -2.960 -1.146 -9.814 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -1.705 -0.430 -10.302 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -2.800 -1.472 -8.348 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -1.965 0.578 -11.396 1.00 0.00 C ATOM 0 H ILE A 73 -1.412 -3.300 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.195 -2.865 -10.234 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.807 -0.476 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.236 0.076 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.993 -1.171 -10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.581 -0.559 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.723 -1.913 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.981 -2.180 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.026 1.046 -11.691 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.406 0.075 -12.257 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.652 1.342 -11.031 1.00 0.00 H new ATOM 1152 N PRO A 74 -4.537 -1.249 -12.405 1.00 0.00 N ATOM 1153 CA PRO A 74 -4.970 -0.929 -13.771 1.00 0.00 C ATOM 1154 C PRO A 74 -3.855 -0.439 -14.687 1.00 0.00 C ATOM 1155 O PRO A 74 -3.017 0.376 -14.295 1.00 0.00 O ATOM 1156 CB PRO A 74 -5.978 0.197 -13.555 1.00 0.00 C ATOM 1157 CG PRO A 74 -6.473 0.020 -12.183 1.00 0.00 C ATOM 1158 CD PRO A 74 -5.340 -0.508 -11.420 1.00 0.00 C ATOM 0 HA PRO A 74 -5.357 -1.818 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.509 1.173 -13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.792 0.139 -14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.819 0.966 -11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.318 -0.668 -12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.762 0.295 -10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.676 -1.159 -10.613 1.00 0.00 H new ATOM 1166 N GLY A 75 -3.862 -0.943 -15.914 1.00 0.00 N ATOM 1167 CA GLY A 75 -2.923 -0.486 -16.919 1.00 0.00 C ATOM 1168 C GLY A 75 -1.548 -1.099 -16.762 1.00 0.00 C ATOM 1169 O GLY A 75 -0.953 -1.570 -17.734 1.00 0.00 O ATOM 0 H GLY A 75 -4.507 -1.666 -16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.312 -0.727 -17.908 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.840 0.599 -16.865 1.00 0.00 H new ATOM 1173 N GLU A 76 -1.046 -1.103 -15.541 1.00 0.00 N ATOM 1174 CA GLU A 76 0.283 -1.614 -15.271 1.00 0.00 C ATOM 1175 C GLU A 76 0.303 -2.420 -13.976 1.00 0.00 C ATOM 1176 O GLU A 76 0.225 -1.874 -12.875 1.00 0.00 O ATOM 1177 CB GLU A 76 1.301 -0.465 -15.225 1.00 0.00 C ATOM 1178 CG GLU A 76 0.966 0.634 -14.226 1.00 0.00 C ATOM 1179 CD GLU A 76 2.040 1.699 -14.155 1.00 0.00 C ATOM 1180 OE1 GLU A 76 3.197 1.361 -13.823 1.00 0.00 O ATOM 1181 OE2 GLU A 76 1.733 2.881 -14.418 1.00 0.00 O ATOM 0 H GLU A 76 -1.541 -0.757 -14.719 1.00 0.00 H new ATOM 0 HA GLU A 76 0.565 -2.285 -16.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.281 -0.874 -14.981 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.378 -0.024 -16.219 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.018 1.096 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.829 0.194 -13.238 1.00 0.00 H new ATOM 1188 N GLN A 77 0.392 -3.729 -14.110 1.00 0.00 N ATOM 1189 CA GLN A 77 0.472 -4.597 -12.952 1.00 0.00 C ATOM 1190 C GLN A 77 1.918 -5.005 -12.708 1.00 0.00 C ATOM 1191 O GLN A 77 2.430 -5.935 -13.331 1.00 0.00 O ATOM 1192 CB GLN A 77 -0.424 -5.826 -13.140 1.00 0.00 C ATOM 1193 CG GLN A 77 -0.325 -6.447 -14.521 1.00 0.00 C ATOM 1194 CD GLN A 77 -1.215 -7.662 -14.684 1.00 0.00 C ATOM 1195 OE1 GLN A 77 -0.801 -8.791 -14.419 1.00 0.00 O ATOM 1196 NE2 GLN A 77 -2.443 -7.442 -15.118 1.00 0.00 N ATOM 0 H GLN A 77 0.411 -4.214 -15.007 1.00 0.00 H new ATOM 0 HA GLN A 77 0.115 -4.055 -12.076 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.159 -6.576 -12.394 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.459 -5.542 -12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.595 -5.702 -15.269 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.709 -6.732 -14.713 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.748 -6.491 -15.326 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.087 -8.223 -15.245 1.00 0.00 H new ATOM 1205 N HIS A 78 2.571 -4.291 -11.796 1.00 0.00 N ATOM 1206 CA HIS A 78 3.969 -4.542 -11.468 1.00 0.00 C ATOM 1207 C HIS A 78 4.432 -3.609 -10.348 1.00 0.00 C ATOM 1208 O HIS A 78 4.973 -2.533 -10.594 1.00 0.00 O ATOM 1209 CB HIS A 78 4.867 -4.377 -12.718 1.00 0.00 C ATOM 1210 CG HIS A 78 4.889 -2.992 -13.320 1.00 0.00 C ATOM 1211 ND1 HIS A 78 6.030 -2.409 -13.826 1.00 0.00 N ATOM 1212 CD2 HIS A 78 3.904 -2.076 -13.483 1.00 0.00 C ATOM 1213 CE1 HIS A 78 5.746 -1.197 -14.268 1.00 0.00 C ATOM 1214 NE2 HIS A 78 4.463 -0.970 -14.071 1.00 0.00 N ATOM 0 H HIS A 78 2.149 -3.528 -11.267 1.00 0.00 H new ATOM 0 HA HIS A 78 4.057 -5.571 -11.120 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.887 -4.655 -12.452 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.533 -5.081 -13.480 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.868 -2.195 -13.201 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.447 -0.508 -14.715 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.967 -0.113 -14.316 1.00 0.00 H new ATOM 1223 N PHE A 79 4.218 -4.022 -9.115 1.00 0.00 N ATOM 1224 CA PHE A 79 4.679 -3.253 -7.972 1.00 0.00 C ATOM 1225 C PHE A 79 5.208 -4.190 -6.909 1.00 0.00 C ATOM 1226 O PHE A 79 4.456 -4.728 -6.108 1.00 0.00 O ATOM 1227 CB PHE A 79 3.545 -2.374 -7.412 1.00 0.00 C ATOM 1228 CG PHE A 79 3.175 -1.245 -8.333 1.00 0.00 C ATOM 1229 CD1 PHE A 79 3.899 -0.063 -8.325 1.00 0.00 C ATOM 1230 CD2 PHE A 79 2.115 -1.369 -9.217 1.00 0.00 C ATOM 1231 CE1 PHE A 79 3.573 0.972 -9.179 1.00 0.00 C ATOM 1232 CE2 PHE A 79 1.783 -0.337 -10.072 1.00 0.00 C ATOM 1233 CZ PHE A 79 2.513 0.834 -10.053 1.00 0.00 C ATOM 0 H PHE A 79 3.729 -4.885 -8.877 1.00 0.00 H new ATOM 0 HA PHE A 79 5.484 -2.592 -8.292 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.666 -2.993 -7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.850 -1.966 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.728 0.050 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.542 -2.284 -9.237 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.146 1.887 -9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.953 -0.446 -10.755 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.255 1.642 -10.721 1.00 0.00 H new ATOM 1243 N TYR A 80 6.513 -4.373 -6.909 1.00 0.00 N ATOM 1244 CA TYR A 80 7.161 -5.231 -5.939 1.00 0.00 C ATOM 1245 C TYR A 80 7.787 -4.364 -4.875 1.00 0.00 C ATOM 1246 O TYR A 80 8.610 -3.500 -5.181 1.00 0.00 O ATOM 1247 CB TYR A 80 8.229 -6.086 -6.619 1.00 0.00 C ATOM 1248 CG TYR A 80 7.742 -6.760 -7.882 1.00 0.00 C ATOM 1249 CD1 TYR A 80 6.874 -7.842 -7.826 1.00 0.00 C ATOM 1250 CD2 TYR A 80 8.146 -6.306 -9.132 1.00 0.00 C ATOM 1251 CE1 TYR A 80 6.424 -8.455 -8.979 1.00 0.00 C ATOM 1252 CE2 TYR A 80 7.698 -6.914 -10.289 1.00 0.00 C ATOM 1253 CZ TYR A 80 6.839 -7.987 -10.206 1.00 0.00 C ATOM 1254 OH TYR A 80 6.394 -8.597 -11.358 1.00 0.00 O ATOM 0 H TYR A 80 7.149 -3.935 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 80 6.428 -5.900 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.088 -5.459 -6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.575 -6.847 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.545 -8.210 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.820 -5.465 -9.200 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.750 -9.297 -8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.020 -6.550 -11.253 1.00 0.00 H new ATOM 0 HH TYR A 80 6.779 -8.145 -12.137 1.00 0.00 H new ATOM 1264 N MET A 81 7.396 -4.559 -3.635 1.00 0.00 N ATOM 1265 CA MET A 81 7.829 -3.647 -2.595 1.00 0.00 C ATOM 1266 C MET A 81 7.909 -4.344 -1.257 1.00 0.00 C ATOM 1267 O MET A 81 7.025 -5.105 -0.899 1.00 0.00 O ATOM 1268 CB MET A 81 6.865 -2.462 -2.513 1.00 0.00 C ATOM 1269 CG MET A 81 5.470 -2.863 -2.101 1.00 0.00 C ATOM 1270 SD MET A 81 4.212 -1.674 -2.572 1.00 0.00 S ATOM 1271 CE MET A 81 2.798 -2.476 -1.834 1.00 0.00 C ATOM 0 H MET A 81 6.793 -5.321 -3.325 1.00 0.00 H new ATOM 0 HA MET A 81 8.826 -3.287 -2.847 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.253 -1.734 -1.801 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.823 -1.967 -3.483 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.231 -3.828 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.444 -2.998 -1.020 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.966 -1.773 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.510 -3.335 -2.439 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.053 -2.810 -0.828 1.00 0.00 H new ATOM 1281 N LYS A 82 8.963 -4.056 -0.524 1.00 0.00 N ATOM 1282 CA LYS A 82 9.148 -4.575 0.815 1.00 0.00 C ATOM 1283 C LYS A 82 8.804 -3.469 1.792 1.00 0.00 C ATOM 1284 O LYS A 82 8.476 -2.364 1.380 1.00 0.00 O ATOM 1285 CB LYS A 82 10.598 -5.036 1.022 1.00 0.00 C ATOM 1286 CG LYS A 82 10.802 -5.896 2.265 1.00 0.00 C ATOM 1287 CD LYS A 82 12.139 -6.621 2.247 1.00 0.00 C ATOM 1288 CE LYS A 82 13.313 -5.657 2.236 1.00 0.00 C ATOM 1289 NZ LYS A 82 14.611 -6.375 2.326 1.00 0.00 N ATOM 0 H LYS A 82 9.721 -3.451 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 82 8.502 -5.438 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.918 -5.600 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.242 -4.159 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.743 -5.268 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.995 -6.626 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.211 -7.269 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.190 -7.264 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.288 -5.063 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.222 -4.962 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.390 -5.686 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.644 -6.923 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.708 -7.019 1.516 1.00 0.00 H new ATOM 1303 N ALA A 83 8.868 -3.749 3.071 1.00 0.00 N ATOM 1304 CA ALA A 83 8.465 -2.777 4.055 1.00 0.00 C ATOM 1305 C ALA A 83 9.577 -2.502 5.042 1.00 0.00 C ATOM 1306 O ALA A 83 10.590 -3.199 5.050 1.00 0.00 O ATOM 1307 CB ALA A 83 7.221 -3.259 4.771 1.00 0.00 C ATOM 0 H ALA A 83 9.194 -4.637 3.452 1.00 0.00 H new ATOM 0 HA ALA A 83 8.242 -1.840 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.920 -2.521 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.416 -3.396 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.430 -4.207 5.266 1.00 0.00 H new ATOM 1313 N VAL A 84 9.384 -1.476 5.853 1.00 0.00 N ATOM 1314 CA VAL A 84 10.290 -1.160 6.942 1.00 0.00 C ATOM 1315 C VAL A 84 10.581 -2.400 7.790 1.00 0.00 C ATOM 1316 O VAL A 84 11.716 -2.638 8.206 1.00 0.00 O ATOM 1317 CB VAL A 84 9.676 -0.040 7.792 1.00 0.00 C ATOM 1318 CG1 VAL A 84 9.842 -0.261 9.283 1.00 0.00 C ATOM 1319 CG2 VAL A 84 10.204 1.298 7.368 1.00 0.00 C ATOM 0 H VAL A 84 8.592 -0.838 5.774 1.00 0.00 H new ATOM 0 HA VAL A 84 11.242 -0.820 6.534 1.00 0.00 H new ATOM 0 HB VAL A 84 8.602 -0.061 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.386 0.567 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.356 -1.194 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.903 -0.315 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.756 2.078 7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.287 1.317 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.954 1.473 6.322 1.00 0.00 H new ATOM 1329 N ASN A 85 9.549 -3.205 7.974 1.00 0.00 N ATOM 1330 CA ASN A 85 9.614 -4.415 8.773 1.00 0.00 C ATOM 1331 C ASN A 85 8.498 -5.343 8.336 1.00 0.00 C ATOM 1332 O ASN A 85 7.842 -5.076 7.326 1.00 0.00 O ATOM 1333 CB ASN A 85 9.513 -4.104 10.267 1.00 0.00 C ATOM 1334 CG ASN A 85 10.872 -3.858 10.895 1.00 0.00 C ATOM 1335 OD1 ASN A 85 11.866 -4.484 10.524 1.00 0.00 O ATOM 1336 ND2 ASN A 85 10.924 -2.939 11.838 1.00 0.00 N ATOM 0 H ASN A 85 8.630 -3.034 7.567 1.00 0.00 H new ATOM 0 HA ASN A 85 10.578 -4.898 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.884 -3.226 10.412 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.024 -4.934 10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.812 -2.723 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.076 -2.444 12.115 1.00 0.00 H new ATOM 1343 N ALA A 86 8.252 -6.410 9.062 1.00 0.00 N ATOM 1344 CA ALA A 86 7.300 -7.397 8.590 1.00 0.00 C ATOM 1345 C ALA A 86 5.873 -7.038 8.910 1.00 0.00 C ATOM 1346 O ALA A 86 5.017 -7.090 8.034 1.00 0.00 O ATOM 1347 CB ALA A 86 7.620 -8.759 9.124 1.00 0.00 C ATOM 0 H ALA A 86 8.685 -6.617 9.962 1.00 0.00 H new ATOM 0 HA ALA A 86 7.394 -7.408 7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.889 -9.477 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.617 -9.054 8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.588 -8.739 10.213 1.00 0.00 H new ATOM 1353 N ALA A 87 5.601 -6.676 10.148 1.00 0.00 N ATOM 1354 CA ALA A 87 4.262 -6.245 10.499 1.00 0.00 C ATOM 1355 C ALA A 87 3.960 -4.932 9.816 1.00 0.00 C ATOM 1356 O ALA A 87 2.815 -4.518 9.703 1.00 0.00 O ATOM 1357 CB ALA A 87 4.101 -6.091 11.977 1.00 0.00 C ATOM 0 H ALA A 87 6.274 -6.671 10.914 1.00 0.00 H new ATOM 0 HA ALA A 87 3.563 -7.011 10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.085 -5.767 12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.293 -7.046 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.808 -5.347 12.344 1.00 0.00 H new ATOM 1363 N GLU A 88 5.022 -4.285 9.384 1.00 0.00 N ATOM 1364 CA GLU A 88 4.918 -3.100 8.541 1.00 0.00 C ATOM 1365 C GLU A 88 4.314 -3.524 7.224 1.00 0.00 C ATOM 1366 O GLU A 88 3.305 -2.994 6.767 1.00 0.00 O ATOM 1367 CB GLU A 88 6.300 -2.519 8.274 1.00 0.00 C ATOM 1368 CG GLU A 88 6.388 -1.009 8.293 1.00 0.00 C ATOM 1369 CD GLU A 88 5.131 -0.287 7.859 1.00 0.00 C ATOM 1370 OE1 GLU A 88 5.004 0.013 6.656 1.00 0.00 O ATOM 1371 OE2 GLU A 88 4.297 0.031 8.728 1.00 0.00 O ATOM 0 H GLU A 88 5.980 -4.559 9.603 1.00 0.00 H new ATOM 0 HA GLU A 88 4.306 -2.347 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.991 -2.915 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.642 -2.873 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.642 -0.688 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.208 -0.700 7.645 1.00 0.00 H new ATOM 1378 N ARG A 89 4.960 -4.513 6.629 1.00 0.00 N ATOM 1379 CA ARG A 89 4.481 -5.111 5.392 1.00 0.00 C ATOM 1380 C ARG A 89 3.069 -5.669 5.599 1.00 0.00 C ATOM 1381 O ARG A 89 2.229 -5.602 4.706 1.00 0.00 O ATOM 1382 CB ARG A 89 5.460 -6.200 4.919 1.00 0.00 C ATOM 1383 CG ARG A 89 5.387 -6.492 3.423 1.00 0.00 C ATOM 1384 CD ARG A 89 6.782 -6.604 2.801 1.00 0.00 C ATOM 1385 NE ARG A 89 6.750 -6.824 1.348 1.00 0.00 N ATOM 1386 CZ ARG A 89 7.691 -7.486 0.643 1.00 0.00 C ATOM 1387 NH1 ARG A 89 8.761 -7.988 1.232 1.00 0.00 N ATOM 1388 NH2 ARG A 89 7.565 -7.629 -0.667 1.00 0.00 N ATOM 0 H ARG A 89 5.824 -4.922 6.985 1.00 0.00 H new ATOM 0 HA ARG A 89 4.431 -4.351 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.476 -5.895 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.258 -7.119 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.840 -7.420 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.828 -5.700 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.342 -5.693 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.320 -7.425 3.275 1.00 0.00 H new ATOM 0 HE ARG A 89 5.955 -6.447 0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.888 -7.879 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.461 -8.485 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.754 -7.238 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.279 -8.130 -1.196 1.00 0.00 H new ATOM 1402 N GLN A 90 2.811 -6.177 6.803 1.00 0.00 N ATOM 1403 CA GLN A 90 1.511 -6.660 7.200 1.00 0.00 C ATOM 1404 C GLN A 90 0.489 -5.542 7.190 1.00 0.00 C ATOM 1405 O GLN A 90 -0.537 -5.642 6.534 1.00 0.00 O ATOM 1406 CB GLN A 90 1.666 -7.194 8.600 1.00 0.00 C ATOM 1407 CG GLN A 90 0.399 -7.645 9.250 1.00 0.00 C ATOM 1408 CD GLN A 90 -0.110 -8.967 8.709 1.00 0.00 C ATOM 1409 OE1 GLN A 90 0.666 -9.814 8.266 1.00 0.00 O ATOM 1410 NE2 GLN A 90 -1.419 -9.151 8.739 1.00 0.00 N ATOM 0 H GLN A 90 3.518 -6.261 7.534 1.00 0.00 H new ATOM 0 HA GLN A 90 1.160 -7.426 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.363 -8.032 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.118 -6.420 9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.562 -7.737 10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.367 -6.882 9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.028 -8.424 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.820 -10.020 8.387 1.00 0.00 H new ATOM 1419 N ARG A 91 0.794 -4.502 7.954 1.00 0.00 N ATOM 1420 CA ARG A 91 0.029 -3.281 8.022 1.00 0.00 C ATOM 1421 C ARG A 91 -0.596 -2.891 6.689 1.00 0.00 C ATOM 1422 O ARG A 91 -1.779 -2.555 6.627 1.00 0.00 O ATOM 1423 CB ARG A 91 0.985 -2.215 8.487 1.00 0.00 C ATOM 1424 CG ARG A 91 1.003 -1.994 9.964 1.00 0.00 C ATOM 1425 CD ARG A 91 2.131 -1.063 10.324 1.00 0.00 C ATOM 1426 NE ARG A 91 2.251 -0.807 11.754 1.00 0.00 N ATOM 1427 CZ ARG A 91 3.205 -0.036 12.272 1.00 0.00 C ATOM 1428 NH1 ARG A 91 4.107 0.528 11.472 1.00 0.00 N ATOM 1429 NH2 ARG A 91 3.266 0.163 13.582 1.00 0.00 N ATOM 0 H ARG A 91 1.612 -4.493 8.563 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.811 -3.412 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.991 -2.481 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.728 -1.276 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.052 -1.572 10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.124 -2.945 10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.068 -1.485 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.986 -0.115 9.806 1.00 0.00 H new ATOM 0 HE ARG A 91 1.575 -1.237 12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.066 0.369 10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.839 1.119 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.580 -0.275 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.999 0.754 13.974 1.00 0.00 H new ATOM 1443 N TRP A 92 0.192 -2.937 5.628 1.00 0.00 N ATOM 1444 CA TRP A 92 -0.296 -2.586 4.316 1.00 0.00 C ATOM 1445 C TRP A 92 -1.330 -3.575 3.831 1.00 0.00 C ATOM 1446 O TRP A 92 -2.428 -3.182 3.453 1.00 0.00 O ATOM 1447 CB TRP A 92 0.859 -2.511 3.349 1.00 0.00 C ATOM 1448 CG TRP A 92 1.720 -1.317 3.592 1.00 0.00 C ATOM 1449 CD1 TRP A 92 2.917 -1.277 4.245 1.00 0.00 C ATOM 1450 CD2 TRP A 92 1.425 0.023 3.213 1.00 0.00 C ATOM 1451 NE1 TRP A 92 3.379 0.013 4.300 1.00 0.00 N ATOM 1452 CE2 TRP A 92 2.480 0.832 3.665 1.00 0.00 C ATOM 1453 CE3 TRP A 92 0.365 0.611 2.534 1.00 0.00 C ATOM 1454 CZ2 TRP A 92 2.497 2.207 3.456 1.00 0.00 C ATOM 1455 CZ3 TRP A 92 0.378 1.969 2.321 1.00 0.00 C ATOM 1456 CH2 TRP A 92 1.440 2.758 2.782 1.00 0.00 C ATOM 0 H TRP A 92 1.173 -3.215 5.655 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.779 -1.611 4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.462 -3.415 3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.476 -2.479 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.426 -2.135 4.658 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.248 0.314 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -0.458 0.009 2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.314 2.817 3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.441 2.434 1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.425 3.823 2.602 1.00 0.00 H new ATOM 1467 N LEU A 93 -0.978 -4.857 3.841 1.00 0.00 N ATOM 1468 CA LEU A 93 -1.897 -5.912 3.487 1.00 0.00 C ATOM 1469 C LEU A 93 -3.203 -5.745 4.257 1.00 0.00 C ATOM 1470 O LEU A 93 -4.297 -5.930 3.721 1.00 0.00 O ATOM 1471 CB LEU A 93 -1.257 -7.240 3.844 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.043 -7.683 3.011 1.00 0.00 C ATOM 1473 CD1 LEU A 93 0.656 -6.540 2.297 1.00 0.00 C ATOM 1474 CD2 LEU A 93 0.946 -8.405 3.898 1.00 0.00 C ATOM 0 H LEU A 93 -0.046 -5.185 4.096 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.116 -5.874 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.952 -7.197 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.020 -8.014 3.766 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.426 -8.347 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.502 -6.928 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.044 -6.053 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.012 -5.817 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.805 -8.718 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.277 -7.737 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.469 -9.282 4.336 1.00 0.00 H new ATOM 1486 N VAL A 94 -3.044 -5.385 5.524 1.00 0.00 N ATOM 1487 CA VAL A 94 -4.124 -5.073 6.422 1.00 0.00 C ATOM 1488 C VAL A 94 -5.026 -3.967 5.874 1.00 0.00 C ATOM 1489 O VAL A 94 -6.194 -4.199 5.580 1.00 0.00 O ATOM 1490 CB VAL A 94 -3.522 -4.660 7.772 1.00 0.00 C ATOM 1491 CG1 VAL A 94 -4.556 -4.070 8.670 1.00 0.00 C ATOM 1492 CG2 VAL A 94 -2.864 -5.847 8.455 1.00 0.00 C ATOM 0 H VAL A 94 -2.125 -5.302 5.959 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.753 -5.955 6.539 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.766 -3.901 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.097 -3.788 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.986 -3.187 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.342 -4.803 8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.444 -5.531 9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.607 -6.626 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.068 -6.237 7.820 1.00 0.00 H new ATOM 1502 N ALA A 95 -4.463 -2.782 5.720 1.00 0.00 N ATOM 1503 CA ALA A 95 -5.225 -1.610 5.282 1.00 0.00 C ATOM 1504 C ALA A 95 -5.794 -1.809 3.884 1.00 0.00 C ATOM 1505 O ALA A 95 -6.985 -1.598 3.651 1.00 0.00 O ATOM 1506 CB ALA A 95 -4.364 -0.356 5.318 1.00 0.00 C ATOM 0 H ALA A 95 -3.474 -2.598 5.891 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.056 -1.486 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.953 0.500 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.013 -0.185 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.508 -0.483 4.656 1.00 0.00 H new ATOM 1512 N LEU A 96 -4.929 -2.214 2.964 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.310 -2.469 1.588 1.00 0.00 C ATOM 1514 C LEU A 96 -6.500 -3.431 1.514 1.00 0.00 C ATOM 1515 O LEU A 96 -7.591 -3.070 1.074 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.120 -3.075 0.843 1.00 0.00 C ATOM 1517 CG LEU A 96 -2.926 -2.138 0.675 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -1.690 -2.899 0.245 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -3.250 -1.084 -0.345 1.00 0.00 C ATOM 0 H LEU A 96 -3.940 -2.375 3.155 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.604 -1.525 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.792 -3.967 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.453 -3.397 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.722 -1.670 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.856 -2.206 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.442 -3.646 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.880 -3.394 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.396 -0.417 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.474 -1.559 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.115 -0.510 -0.013 1.00 0.00 H new ATOM 1531 N GLY A 97 -6.287 -4.644 1.999 1.00 0.00 N ATOM 1532 CA GLY A 97 -7.289 -5.690 1.903 1.00 0.00 C ATOM 1533 C GLY A 97 -8.435 -5.527 2.873 1.00 0.00 C ATOM 1534 O GLY A 97 -9.335 -6.353 2.891 1.00 0.00 O ATOM 0 H GLY A 97 -5.425 -4.928 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.685 -5.709 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.812 -6.654 2.077 1.00 0.00 H new ATOM 1538 N SER A 98 -8.389 -4.501 3.709 1.00 0.00 N ATOM 1539 CA SER A 98 -9.551 -4.133 4.504 1.00 0.00 C ATOM 1540 C SER A 98 -10.400 -3.119 3.736 1.00 0.00 C ATOM 1541 O SER A 98 -11.631 -3.111 3.837 1.00 0.00 O ATOM 1542 CB SER A 98 -9.129 -3.556 5.855 1.00 0.00 C ATOM 1543 OG SER A 98 -10.253 -3.300 6.679 1.00 0.00 O ATOM 0 H SER A 98 -7.568 -3.913 3.854 1.00 0.00 H new ATOM 0 HA SER A 98 -10.142 -5.029 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.458 -4.253 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.571 -2.633 5.700 1.00 0.00 H new ATOM 0 HG SER A 98 -9.953 -2.933 7.537 1.00 0.00 H new ATOM 1549 N SER A 99 -9.734 -2.283 2.946 1.00 0.00 N ATOM 1550 CA SER A 99 -10.407 -1.241 2.184 1.00 0.00 C ATOM 1551 C SER A 99 -10.961 -1.792 0.874 1.00 0.00 C ATOM 1552 O SER A 99 -11.940 -1.276 0.342 1.00 0.00 O ATOM 1553 CB SER A 99 -9.440 -0.082 1.914 1.00 0.00 C ATOM 1554 OG SER A 99 -10.089 1.000 1.262 1.00 0.00 O ATOM 0 H SER A 99 -8.722 -2.309 2.818 1.00 0.00 H new ATOM 0 HA SER A 99 -11.247 -0.871 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.013 0.263 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.612 -0.434 1.299 1.00 0.00 H new ATOM 0 HG SER A 99 -9.445 1.722 1.106 1.00 0.00 H new ATOM 1560 N LYS A 100 -10.322 -2.830 0.352 1.00 0.00 N ATOM 1561 CA LYS A 100 -10.782 -3.482 -0.870 1.00 0.00 C ATOM 1562 C LYS A 100 -11.541 -4.765 -0.542 1.00 0.00 C ATOM 1563 O LYS A 100 -12.012 -5.473 -1.427 1.00 0.00 O ATOM 1564 CB LYS A 100 -9.597 -3.820 -1.774 1.00 0.00 C ATOM 1565 CG LYS A 100 -10.004 -4.496 -3.058 1.00 0.00 C ATOM 1566 CD LYS A 100 -8.871 -5.279 -3.661 1.00 0.00 C ATOM 1567 CE LYS A 100 -9.406 -6.571 -4.206 1.00 0.00 C ATOM 1568 NZ LYS A 100 -8.399 -7.314 -4.993 1.00 0.00 N ATOM 0 H LYS A 100 -9.480 -3.241 0.756 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.448 -2.792 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.055 -2.904 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.908 -4.468 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.845 -5.162 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.347 -3.746 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.396 -4.703 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.107 -5.475 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.750 -7.195 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.273 -6.365 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.796 -8.228 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.138 -6.761 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.553 -7.477 -4.410 1.00 0.00 H new ATOM 1582 N ALA A 101 -11.676 -5.049 0.737 1.00 0.00 N ATOM 1583 CA ALA A 101 -12.163 -6.348 1.193 1.00 0.00 C ATOM 1584 C ALA A 101 -13.535 -6.724 0.630 1.00 0.00 C ATOM 1585 O ALA A 101 -13.884 -7.905 0.593 1.00 0.00 O ATOM 1586 CB ALA A 101 -12.186 -6.374 2.702 1.00 0.00 C ATOM 0 H ALA A 101 -11.455 -4.397 1.489 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.471 -7.098 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.549 -7.343 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.179 -6.209 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.847 -5.589 3.069 1.00 0.00 H new ATOM 1592 N CYS A 102 -14.308 -5.745 0.184 1.00 0.00 N ATOM 1593 CA CYS A 102 -15.624 -6.034 -0.365 1.00 0.00 C ATOM 1594 C CYS A 102 -15.548 -6.261 -1.878 1.00 0.00 C ATOM 1595 O CYS A 102 -16.494 -6.769 -2.486 1.00 0.00 O ATOM 1596 CB CYS A 102 -16.605 -4.907 -0.036 1.00 0.00 C ATOM 1597 SG CYS A 102 -18.310 -5.224 -0.549 1.00 0.00 S ATOM 0 H CYS A 102 -14.052 -4.758 0.191 1.00 0.00 H new ATOM 0 HA CYS A 102 -15.989 -6.952 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -16.589 -4.731 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -16.259 -3.990 -0.514 1.00 0.00 H new ATOM 0 HG CYS A 102 -18.311 -5.920 -1.647 1.00 0.00 H new ATOM 1603 N LEU A 103 -14.426 -5.898 -2.493 1.00 0.00 N ATOM 1604 CA LEU A 103 -14.245 -6.135 -3.920 1.00 0.00 C ATOM 1605 C LEU A 103 -13.606 -7.493 -4.144 1.00 0.00 C ATOM 1606 O LEU A 103 -12.398 -7.659 -3.981 1.00 0.00 O ATOM 1607 CB LEU A 103 -13.390 -5.060 -4.600 1.00 0.00 C ATOM 1608 CG LEU A 103 -13.949 -3.650 -4.607 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -15.462 -3.674 -4.656 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -13.421 -2.871 -3.432 1.00 0.00 C ATOM 0 H LEU A 103 -13.638 -5.444 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 103 -15.237 -6.099 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.417 -5.038 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.219 -5.364 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.614 -3.137 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.842 -2.652 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.789 -4.187 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.846 -4.200 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.831 -1.861 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.715 -3.365 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.333 -2.822 -3.487 1.00 0.00 H new ATOM 1622 N THR A 104 -14.419 -8.465 -4.504 1.00 0.00 N ATOM 1623 CA THR A 104 -13.924 -9.797 -4.786 1.00 0.00 C ATOM 1624 C THR A 104 -13.546 -9.919 -6.256 1.00 0.00 C ATOM 1625 O THR A 104 -12.723 -10.754 -6.635 1.00 0.00 O ATOM 1626 CB THR A 104 -14.977 -10.857 -4.437 1.00 0.00 C ATOM 1627 OG1 THR A 104 -16.201 -10.558 -5.117 1.00 0.00 O ATOM 1628 CG2 THR A 104 -15.223 -10.905 -2.936 1.00 0.00 C ATOM 0 H THR A 104 -15.428 -8.357 -4.608 1.00 0.00 H new ATOM 0 HA THR A 104 -13.040 -9.965 -4.170 1.00 0.00 H new ATOM 0 HB THR A 104 -14.606 -11.831 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.873 -11.236 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 104 -15.973 -11.664 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.294 -11.152 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 104 -15.578 -9.933 -2.594 1.00 0.00 H new ATOM 1636 N ASP A 105 -14.152 -9.074 -7.080 1.00 0.00 N ATOM 1637 CA ASP A 105 -13.905 -9.096 -8.512 1.00 0.00 C ATOM 1638 C ASP A 105 -13.147 -7.848 -8.952 1.00 0.00 C ATOM 1639 O ASP A 105 -11.962 -7.917 -9.275 1.00 0.00 O ATOM 1640 CB ASP A 105 -15.225 -9.212 -9.280 1.00 0.00 C ATOM 1641 CG ASP A 105 -15.021 -9.298 -10.779 1.00 0.00 C ATOM 1642 OD1 ASP A 105 -14.562 -10.354 -11.259 1.00 0.00 O ATOM 1643 OD2 ASP A 105 -15.335 -8.318 -11.486 1.00 0.00 O ATOM 0 H ASP A 105 -14.819 -8.364 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.290 -9.967 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.763 -10.096 -8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -15.851 -8.350 -9.051 1.00 0.00 H new ATOM 1648 N THR A 106 -13.830 -6.709 -8.957 1.00 0.00 N ATOM 1649 CA THR A 106 -13.227 -5.455 -9.393 1.00 0.00 C ATOM 1650 C THR A 106 -14.008 -4.253 -8.859 1.00 0.00 C ATOM 1651 O THR A 106 -15.235 -4.218 -8.936 1.00 0.00 O ATOM 1652 CB THR A 106 -13.174 -5.368 -10.939 1.00 0.00 C ATOM 1653 OG1 THR A 106 -12.423 -6.466 -11.477 1.00 0.00 O ATOM 1654 CG2 THR A 106 -12.550 -4.059 -11.396 1.00 0.00 C ATOM 0 H THR A 106 -14.803 -6.628 -8.663 1.00 0.00 H new ATOM 0 HA THR A 106 -12.213 -5.434 -8.994 1.00 0.00 H new ATOM 0 HB THR A 106 -14.199 -5.413 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.872 -6.863 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.527 -4.028 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 106 -13.142 -3.224 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.534 -3.986 -11.009 1.00 0.00 H new ATOM 1662 N ARG A 107 -13.293 -3.290 -8.287 1.00 0.00 N ATOM 1663 CA ARG A 107 -13.883 -2.005 -7.926 1.00 0.00 C ATOM 1664 C ARG A 107 -14.226 -1.228 -9.192 1.00 0.00 C ATOM 1665 O ARG A 107 -13.354 -0.614 -9.808 1.00 0.00 O ATOM 1666 CB ARG A 107 -12.906 -1.191 -7.069 1.00 0.00 C ATOM 1667 CG ARG A 107 -13.427 0.166 -6.620 1.00 0.00 C ATOM 1668 CD ARG A 107 -14.665 0.043 -5.750 1.00 0.00 C ATOM 1669 NE ARG A 107 -15.018 1.320 -5.134 1.00 0.00 N ATOM 1670 CZ ARG A 107 -16.237 1.857 -5.165 1.00 0.00 C ATOM 1671 NH1 ARG A 107 -17.222 1.252 -5.821 1.00 0.00 N ATOM 1672 NH2 ARG A 107 -16.471 3.008 -4.549 1.00 0.00 N ATOM 0 H ARG A 107 -12.302 -3.375 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.791 -2.183 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.646 -1.775 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.986 -1.042 -7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.646 0.689 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.658 0.773 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.500 -0.314 -6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -14.492 -0.701 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.283 1.834 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.047 0.371 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.153 1.669 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.718 3.482 -4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.404 3.419 -4.573 1.00 0.00 H new ATOM 1686 N THR A 108 -15.483 -1.272 -9.588 1.00 0.00 N ATOM 1687 CA THR A 108 -15.916 -0.589 -10.789 1.00 0.00 C ATOM 1688 C THR A 108 -17.260 0.101 -10.562 1.00 0.00 C ATOM 1689 O THR A 108 -18.317 -0.502 -10.849 1.00 0.00 O ATOM 1690 CB THR A 108 -15.959 -1.548 -11.994 1.00 0.00 C ATOM 1691 OG1 THR A 108 -16.602 -0.932 -13.119 1.00 0.00 O ATOM 1692 CG2 THR A 108 -16.640 -2.867 -11.652 1.00 0.00 C ATOM 1693 OXT THR A 108 -17.251 1.250 -10.073 1.00 0.00 O ATOM 0 H THR A 108 -16.222 -1.774 -9.095 1.00 0.00 H new ATOM 0 HA THR A 108 -15.184 0.184 -11.025 1.00 0.00 H new ATOM 0 HB THR A 108 -14.925 -1.770 -12.259 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.616 -1.559 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 108 -16.647 -3.511 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.096 -3.359 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.665 -2.676 -11.334 1.00 0.00 H new TER 1701 THR A 108