USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 608 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 16 THR OG1 : rot -1:sc= -0.546 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -2.13! C(o=-3.2!,f=-4.2!) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.54 K(o=-3.2,f=-2.6) USER MOD Set 2.1: A 24 HIS : no HD1:sc=-0.00304 K(o=-5.9,f=-2.9) USER MOD Set 2.2: A 49 ASN : amide:sc= -5.87! C(o=-5.9!,f=-2.9!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.686! C(o=-7.5!,f=-8.9!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -6.86! C(o=-7.5!,f=-10!) USER MOD Set 4.1: A 9 TYR OH : rot -31:sc= 0.256 USER MOD Set 4.2: A -1 GLN : amide:sc= -2.89! K(o=-5!,f=-0.65) USER MOD Set 4.3: A -3 THR OG1 : rot -170:sc= 0 USER MOD Set 4.4: A 12 ASN : amide:sc= -2.41! C(o=-5!,f=-9.8!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=0.000639 USER MOD Single : A 8 ASN : amide:sc=-0.00582 K(o=-0.0058,f=-4.7!) USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ -115:sc= 0.06 (180deg=-0.0917) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 28 GLN : amide:sc= 0.918 K(o=0.92,f=-0.34) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00218 USER MOD Single : A 31 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-5.2!) USER MOD Single : A 32 THR OG1 : rot 51:sc= 0.192 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.991 K(o=0.99,f=-2.3!) USER MOD Single : A 43 SER OG : rot -41:sc= 0.399 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.724 (180deg=0.392) USER MOD Single : A 45 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.2) USER MOD Single : A 50 TYR OH : rot 120:sc= 1.23 USER MOD Single : A 53 ASN : amide:sc= 2.51 K(o=2.5,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -117:sc= 2.28 (180deg=-0.449) USER MOD Single : A 64 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.4) USER MOD Single : A 65 THR OG1 : rot -71:sc= -0.28 USER MOD Single : A 66 THR OG1 : rot 140:sc= -1.79! USER MOD Single : A 68 SER OG : rot -36:sc= 0.254 USER MOD Single : A 69 GLN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0431 (180deg=-0.276) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 14.060 23.621 -27.723 1.00 0.00 N ATOM 2 CA THR A -3 12.955 24.599 -27.661 1.00 0.00 C ATOM 3 C THR A -3 13.302 25.733 -26.703 1.00 0.00 C ATOM 4 O THR A -3 14.132 25.568 -25.807 1.00 0.00 O ATOM 5 CB THR A -3 11.642 23.926 -27.216 1.00 0.00 C ATOM 6 OG1 THR A -3 11.850 23.179 -26.009 1.00 0.00 O ATOM 7 CG2 THR A -3 11.111 23.012 -28.312 1.00 0.00 C ATOM 0 H1 THR A -3 14.469 23.619 -28.679 1.00 0.00 H new ATOM 0 H2 THR A -3 14.794 23.882 -27.033 1.00 0.00 H new ATOM 0 H3 THR A -3 13.697 22.672 -27.500 1.00 0.00 H new ATOM 0 HA THR A -3 12.813 25.005 -28.662 1.00 0.00 H new ATOM 0 HB THR A -3 10.904 24.705 -27.026 1.00 0.00 H new ATOM 0 HG1 THR A -3 11.059 22.632 -25.822 1.00 0.00 H new ATOM 0 HG21 THR A -3 10.184 22.546 -27.979 1.00 0.00 H new ATOM 0 HG22 THR A -3 10.921 23.596 -29.212 1.00 0.00 H new ATOM 0 HG23 THR A -3 11.848 22.239 -28.530 1.00 0.00 H new ATOM 17 N TYR A -2 12.663 26.885 -26.893 1.00 0.00 N ATOM 18 CA TYR A -2 12.995 28.086 -26.129 1.00 0.00 C ATOM 19 C TYR A -2 12.317 28.085 -24.762 1.00 0.00 C ATOM 20 O TYR A -2 12.542 28.981 -23.948 1.00 0.00 O ATOM 21 CB TYR A -2 12.579 29.342 -26.909 1.00 0.00 C ATOM 22 CG TYR A -2 11.092 29.634 -26.860 1.00 0.00 C ATOM 23 CD1 TYR A -2 10.212 29.047 -27.756 1.00 0.00 C ATOM 24 CD2 TYR A -2 10.574 30.502 -25.909 1.00 0.00 C ATOM 25 CE1 TYR A -2 8.858 29.313 -27.704 1.00 0.00 C ATOM 26 CE2 TYR A -2 9.225 30.772 -25.851 1.00 0.00 C ATOM 27 CZ TYR A -2 8.372 30.178 -26.748 1.00 0.00 C ATOM 28 OH TYR A -2 7.027 30.450 -26.686 1.00 0.00 O ATOM 0 H TYR A -2 11.911 27.013 -27.570 1.00 0.00 H new ATOM 0 HA TYR A -2 14.074 28.091 -25.975 1.00 0.00 H new ATOM 0 HB2 TYR A -2 13.121 30.200 -26.511 1.00 0.00 H new ATOM 0 HB3 TYR A -2 12.882 29.228 -27.950 1.00 0.00 H new ATOM 0 HD1 TYR A -2 10.592 28.370 -28.507 1.00 0.00 H new ATOM 0 HD2 TYR A -2 11.240 30.974 -25.202 1.00 0.00 H new ATOM 0 HE1 TYR A -2 8.185 28.846 -28.408 1.00 0.00 H new ATOM 0 HE2 TYR A -2 8.839 31.449 -25.103 1.00 0.00 H new ATOM 0 HH TYR A -2 6.854 31.078 -25.954 1.00 0.00 H new ATOM 38 N GLN A -1 11.504 27.072 -24.503 1.00 0.00 N ATOM 39 CA GLN A -1 10.693 27.039 -23.297 1.00 0.00 C ATOM 40 C GLN A -1 11.535 26.632 -22.095 1.00 0.00 C ATOM 41 O GLN A -1 12.628 26.087 -22.243 1.00 0.00 O ATOM 42 CB GLN A -1 9.539 26.058 -23.479 1.00 0.00 C ATOM 43 CG GLN A -1 8.726 26.321 -24.738 1.00 0.00 C ATOM 44 CD GLN A -1 8.186 25.055 -25.378 1.00 0.00 C ATOM 45 OE1 GLN A -1 7.109 25.060 -25.969 1.00 0.00 O ATOM 46 NE2 GLN A -1 8.943 23.970 -25.293 1.00 0.00 N ATOM 0 H GLN A -1 11.389 26.262 -25.112 1.00 0.00 H new ATOM 0 HA GLN A -1 10.294 28.037 -23.117 1.00 0.00 H new ATOM 0 HB2 GLN A -1 9.935 25.043 -23.515 1.00 0.00 H new ATOM 0 HB3 GLN A -1 8.882 26.114 -22.611 1.00 0.00 H new ATOM 0 HG2 GLN A -1 7.893 26.980 -24.493 1.00 0.00 H new ATOM 0 HG3 GLN A -1 9.348 26.849 -25.461 1.00 0.00 H new ATOM 0 HE21 GLN A -1 9.831 24.006 -24.793 1.00 0.00 H new ATOM 0 HE22 GLN A -1 8.637 23.099 -25.727 1.00 0.00 H new ATOM 55 N CYS A 1 11.014 26.883 -20.909 1.00 0.00 N ATOM 56 CA CYS A 1 11.743 26.598 -19.686 1.00 0.00 C ATOM 57 C CYS A 1 10.782 26.112 -18.612 1.00 0.00 C ATOM 58 O CYS A 1 9.563 26.209 -18.769 1.00 0.00 O ATOM 59 CB CYS A 1 12.523 27.833 -19.205 1.00 0.00 C ATOM 60 SG CYS A 1 11.499 29.282 -18.780 1.00 0.00 S ATOM 0 H CYS A 1 10.087 27.284 -20.766 1.00 0.00 H new ATOM 0 HA CYS A 1 12.469 25.811 -19.891 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.110 27.554 -18.330 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.229 28.123 -19.983 1.00 0.00 H new ATOM 65 N LEU A 2 11.334 25.548 -17.554 1.00 0.00 N ATOM 66 CA LEU A 2 10.534 24.992 -16.469 1.00 0.00 C ATOM 67 C LEU A 2 10.001 26.067 -15.527 1.00 0.00 C ATOM 68 O LEU A 2 10.665 27.061 -15.257 1.00 0.00 O ATOM 69 CB LEU A 2 11.375 23.989 -15.687 1.00 0.00 C ATOM 70 CG LEU A 2 10.709 23.349 -14.481 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.379 22.727 -14.866 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.638 22.315 -13.877 1.00 0.00 C ATOM 0 H LEU A 2 12.341 25.461 -17.419 1.00 0.00 H new ATOM 0 HA LEU A 2 9.670 24.499 -16.914 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.684 23.196 -16.368 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.282 24.491 -15.351 1.00 0.00 H new ATOM 0 HG LEU A 2 10.508 24.119 -13.736 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.921 22.275 -13.986 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.719 23.498 -15.264 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.541 21.961 -15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.159 21.857 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.859 21.547 -14.618 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.565 22.796 -13.566 1.00 0.00 H new ATOM 84 N LYS A 3 8.794 25.836 -15.026 1.00 0.00 N ATOM 85 CA LYS A 3 8.177 26.692 -14.029 1.00 0.00 C ATOM 86 C LYS A 3 8.455 26.167 -12.621 1.00 0.00 C ATOM 87 O LYS A 3 7.542 26.046 -11.798 1.00 0.00 O ATOM 88 CB LYS A 3 6.668 26.743 -14.263 1.00 0.00 C ATOM 89 CG LYS A 3 6.043 25.368 -14.415 1.00 0.00 C ATOM 90 CD LYS A 3 4.518 25.401 -14.388 1.00 0.00 C ATOM 91 CE LYS A 3 3.968 26.055 -13.130 1.00 0.00 C ATOM 92 NZ LYS A 3 2.486 26.196 -13.185 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.215 25.044 -15.304 1.00 0.00 H new ATOM 0 HA LYS A 3 8.600 27.692 -14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.194 27.261 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.465 27.329 -15.159 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.375 24.926 -15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.401 24.721 -13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.155 25.941 -15.262 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.135 24.383 -14.461 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.245 25.460 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.423 27.037 -13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.147 26.646 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.223 26.785 -14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.051 25.256 -13.282 1.00 0.00 H new ATOM 106 N GLY A 4 9.705 25.823 -12.363 1.00 0.00 N ATOM 107 CA GLY A 4 10.087 25.333 -11.054 1.00 0.00 C ATOM 108 C GLY A 4 9.629 23.908 -10.818 1.00 0.00 C ATOM 109 O GLY A 4 10.355 22.962 -11.109 1.00 0.00 O ATOM 0 H GLY A 4 10.467 25.874 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.171 25.386 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.662 25.981 -10.287 1.00 0.00 H new ATOM 113 N THR A 5 8.420 23.752 -10.301 1.00 0.00 N ATOM 114 CA THR A 5 7.863 22.432 -10.070 1.00 0.00 C ATOM 115 C THR A 5 7.248 21.873 -11.350 1.00 0.00 C ATOM 116 O THR A 5 7.124 20.662 -11.495 1.00 0.00 O ATOM 117 CB THR A 5 6.804 22.460 -8.951 1.00 0.00 C ATOM 118 OG1 THR A 5 5.853 23.508 -9.192 1.00 0.00 O ATOM 119 CG2 THR A 5 7.457 22.654 -7.593 1.00 0.00 C ATOM 0 H THR A 5 7.808 24.523 -10.034 1.00 0.00 H new ATOM 0 HA THR A 5 8.680 21.783 -9.756 1.00 0.00 H new ATOM 0 HB THR A 5 6.285 21.501 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.185 23.514 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.689 22.670 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.148 21.833 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.003 23.598 -7.583 1.00 0.00 H new ATOM 127 N GLY A 6 6.875 22.759 -12.274 1.00 0.00 N ATOM 128 CA GLY A 6 6.416 22.336 -13.591 1.00 0.00 C ATOM 129 C GLY A 6 5.273 21.353 -13.557 1.00 0.00 C ATOM 130 O GLY A 6 5.449 20.177 -13.873 1.00 0.00 O ATOM 0 H GLY A 6 6.883 23.769 -12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.108 23.215 -14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.251 21.887 -14.129 1.00 0.00 H new ATOM 134 N GLU A 7 4.100 21.842 -13.196 1.00 0.00 N ATOM 135 CA GLU A 7 2.910 21.011 -13.189 1.00 0.00 C ATOM 136 C GLU A 7 2.420 20.852 -14.611 1.00 0.00 C ATOM 137 O GLU A 7 2.479 19.775 -15.200 1.00 0.00 O ATOM 138 CB GLU A 7 1.808 21.658 -12.354 1.00 0.00 C ATOM 139 CG GLU A 7 2.247 22.055 -10.960 1.00 0.00 C ATOM 140 CD GLU A 7 1.180 22.841 -10.236 1.00 0.00 C ATOM 141 OE1 GLU A 7 0.823 23.936 -10.714 1.00 0.00 O ATOM 142 OE2 GLU A 7 0.690 22.366 -9.192 1.00 0.00 O1- ATOM 0 H GLU A 7 3.946 22.807 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 7 3.156 20.041 -12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.443 22.543 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.970 20.965 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.490 21.160 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.158 22.651 -11.022 1.00 0.00 H new ATOM 149 N ASN A 8 1.953 21.957 -15.151 1.00 0.00 N ATOM 150 CA ASN A 8 1.478 22.017 -16.513 1.00 0.00 C ATOM 151 C ASN A 8 2.223 23.105 -17.277 1.00 0.00 C ATOM 152 O ASN A 8 1.631 23.819 -18.079 1.00 0.00 O ATOM 153 CB ASN A 8 -0.030 22.283 -16.526 1.00 0.00 C ATOM 154 CG ASN A 8 -0.400 23.645 -15.950 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.284 24.176 -15.067 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.488 24.213 -16.442 1.00 0.00 N ATOM 0 H ASN A 8 1.893 22.845 -14.652 1.00 0.00 H new ATOM 0 HA ASN A 8 1.666 21.062 -17.003 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.396 22.216 -17.550 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.536 21.504 -15.955 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.791 25.123 -16.093 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.025 23.742 -17.170 1.00 0.00 H new ATOM 163 N TYR A 9 3.529 23.225 -16.993 1.00 0.00 N ATOM 164 CA TYR A 9 4.403 24.208 -17.651 1.00 0.00 C ATOM 165 C TYR A 9 4.102 24.369 -19.153 1.00 0.00 C ATOM 166 O TYR A 9 3.369 25.274 -19.547 1.00 0.00 O ATOM 167 CB TYR A 9 5.891 23.853 -17.412 1.00 0.00 C ATOM 168 CG TYR A 9 6.331 22.469 -17.881 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.533 21.343 -17.697 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.549 22.302 -18.526 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.938 20.099 -18.134 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.960 21.059 -18.966 1.00 0.00 C ATOM 173 CZ TYR A 9 7.149 19.964 -18.771 1.00 0.00 C ATOM 174 OH TYR A 9 7.550 18.730 -19.224 1.00 0.00 O ATOM 0 H TYR A 9 4.007 22.646 -16.303 1.00 0.00 H new ATOM 0 HA TYR A 9 4.194 25.176 -17.195 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.507 24.598 -17.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.097 23.936 -16.345 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.578 21.446 -17.203 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.186 23.159 -18.687 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.308 19.236 -17.977 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.913 20.947 -19.461 1.00 0.00 H new ATOM 0 HH TYR A 9 7.185 18.033 -18.640 1.00 0.00 H new ATOM 184 N ARG A 10 4.692 23.529 -19.989 1.00 0.00 N ATOM 185 CA ARG A 10 4.392 23.526 -21.406 1.00 0.00 C ATOM 186 C ARG A 10 3.812 22.182 -21.819 1.00 0.00 C ATOM 187 O ARG A 10 2.861 22.108 -22.592 1.00 0.00 O ATOM 188 CB ARG A 10 5.660 23.812 -22.209 1.00 0.00 C ATOM 189 CG ARG A 10 6.185 25.223 -22.039 1.00 0.00 C ATOM 190 CD ARG A 10 6.951 25.376 -20.745 1.00 0.00 C ATOM 191 NE ARG A 10 7.543 26.717 -20.503 1.00 0.00 N ATOM 192 CZ ARG A 10 7.174 27.900 -21.055 1.00 0.00 C ATOM 193 NH1 ARG A 10 6.180 28.011 -21.930 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.803 29.008 -20.689 1.00 0.00 N ATOM 0 H ARG A 10 5.386 22.837 -19.705 1.00 0.00 H new ATOM 0 HA ARG A 10 3.657 24.305 -21.609 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.436 23.107 -21.909 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.458 23.634 -23.265 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.833 25.475 -22.879 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.353 25.927 -22.056 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.282 25.140 -19.918 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.752 24.637 -20.728 1.00 0.00 H new ATOM 0 HE ARG A 10 8.320 26.752 -19.843 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.656 27.183 -22.215 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.941 28.924 -22.317 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.554 28.964 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.536 29.904 -21.096 1.00 0.00 H new ATOM 208 N GLY A 11 4.396 21.121 -21.284 1.00 0.00 N ATOM 209 CA GLY A 11 3.990 19.787 -21.666 1.00 0.00 C ATOM 210 C GLY A 11 4.754 19.336 -22.883 1.00 0.00 C ATOM 211 O GLY A 11 4.171 18.995 -23.915 1.00 0.00 O ATOM 0 H GLY A 11 5.144 21.161 -20.592 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.166 19.096 -20.841 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.920 19.771 -21.873 1.00 0.00 H new ATOM 215 N ASN A 12 6.069 19.345 -22.758 1.00 0.00 N ATOM 216 CA ASN A 12 6.949 19.139 -23.894 1.00 0.00 C ATOM 217 C ASN A 12 7.797 17.879 -23.737 1.00 0.00 C ATOM 218 O ASN A 12 7.662 16.935 -24.514 1.00 0.00 O ATOM 219 CB ASN A 12 7.825 20.390 -24.088 1.00 0.00 C ATOM 220 CG ASN A 12 8.303 21.012 -22.778 1.00 0.00 C ATOM 221 OD1 ASN A 12 8.559 20.323 -21.795 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.399 22.334 -22.744 1.00 0.00 N ATOM 0 H ASN A 12 6.554 19.494 -21.873 1.00 0.00 H new ATOM 0 HA ASN A 12 6.341 18.987 -24.786 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.693 20.125 -24.692 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.261 21.135 -24.649 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.692 22.802 -21.886 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.180 22.883 -23.576 1.00 0.00 H new ATOM 229 N VAL A 13 8.662 17.868 -22.741 1.00 0.00 N ATOM 230 CA VAL A 13 9.527 16.733 -22.481 1.00 0.00 C ATOM 231 C VAL A 13 8.717 15.513 -22.049 1.00 0.00 C ATOM 232 O VAL A 13 7.848 15.604 -21.180 1.00 0.00 O ATOM 233 CB VAL A 13 10.566 17.093 -21.405 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.430 15.898 -21.053 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.420 18.261 -21.874 1.00 0.00 C ATOM 0 H VAL A 13 8.785 18.644 -22.090 1.00 0.00 H new ATOM 0 HA VAL A 13 10.047 16.483 -23.406 1.00 0.00 H new ATOM 0 HB VAL A 13 10.034 17.389 -20.501 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.154 16.185 -20.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.801 15.094 -20.672 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.957 15.555 -21.943 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.152 18.508 -21.105 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.937 17.987 -22.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.783 19.126 -22.060 1.00 0.00 H new ATOM 245 N ALA A 14 9.007 14.381 -22.674 1.00 0.00 N ATOM 246 CA ALA A 14 8.291 13.141 -22.409 1.00 0.00 C ATOM 247 C ALA A 14 9.268 12.023 -22.046 1.00 0.00 C ATOM 248 O ALA A 14 8.942 10.833 -22.119 1.00 0.00 O ATOM 249 CB ALA A 14 7.463 12.764 -23.625 1.00 0.00 C ATOM 0 H ALA A 14 9.742 14.296 -23.376 1.00 0.00 H new ATOM 0 HA ALA A 14 7.624 13.287 -21.560 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.927 11.836 -23.427 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.747 13.558 -23.838 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.120 12.627 -24.484 1.00 0.00 H new ATOM 255 N VAL A 15 10.474 12.421 -21.669 1.00 0.00 N ATOM 256 CA VAL A 15 11.517 11.495 -21.254 1.00 0.00 C ATOM 257 C VAL A 15 12.166 12.024 -19.983 1.00 0.00 C ATOM 258 O VAL A 15 12.352 13.231 -19.838 1.00 0.00 O ATOM 259 CB VAL A 15 12.588 11.326 -22.360 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.740 10.455 -21.883 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.968 10.738 -23.617 1.00 0.00 C ATOM 0 H VAL A 15 10.758 13.400 -21.642 1.00 0.00 H new ATOM 0 HA VAL A 15 11.069 10.518 -21.071 1.00 0.00 H new ATOM 0 HB VAL A 15 12.985 12.314 -22.593 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.475 10.355 -22.681 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.209 10.916 -21.013 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.363 9.469 -21.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.735 10.626 -24.383 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.538 9.763 -23.389 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.185 11.403 -23.982 1.00 0.00 H new ATOM 271 N THR A 16 12.496 11.126 -19.063 1.00 0.00 N ATOM 272 CA THR A 16 13.067 11.517 -17.779 1.00 0.00 C ATOM 273 C THR A 16 14.410 12.238 -17.952 1.00 0.00 C ATOM 274 O THR A 16 14.900 12.399 -19.070 1.00 0.00 O ATOM 275 CB THR A 16 13.269 10.291 -16.864 1.00 0.00 C ATOM 276 OG1 THR A 16 14.238 9.402 -17.439 1.00 0.00 O ATOM 277 CG2 THR A 16 11.960 9.542 -16.654 1.00 0.00 C ATOM 0 H THR A 16 12.378 10.120 -19.182 1.00 0.00 H new ATOM 0 HA THR A 16 12.356 12.202 -17.317 1.00 0.00 H new ATOM 0 HB THR A 16 13.625 10.649 -15.898 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.550 9.767 -18.293 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.132 8.683 -16.005 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.231 10.206 -16.190 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.578 9.200 -17.616 1.00 0.00 H new ATOM 285 N VAL A 17 15.010 12.665 -16.847 1.00 0.00 N ATOM 286 CA VAL A 17 16.337 13.270 -16.888 1.00 0.00 C ATOM 287 C VAL A 17 17.358 12.271 -17.448 1.00 0.00 C ATOM 288 O VAL A 17 18.335 12.649 -18.097 1.00 0.00 O ATOM 289 CB VAL A 17 16.765 13.777 -15.488 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.742 12.663 -14.454 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.131 14.437 -15.543 1.00 0.00 C ATOM 0 H VAL A 17 14.601 12.604 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 17 16.299 14.134 -17.551 1.00 0.00 H new ATOM 0 HB VAL A 17 16.036 14.526 -15.177 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.048 13.059 -13.486 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.733 12.258 -14.378 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.428 11.872 -14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.408 14.784 -14.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.869 13.716 -15.894 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.098 15.285 -16.227 1.00 0.00 H new ATOM 301 N SER A 18 17.099 10.993 -17.210 1.00 0.00 N ATOM 302 CA SER A 18 17.887 9.922 -17.793 1.00 0.00 C ATOM 303 C SER A 18 17.156 9.359 -19.011 1.00 0.00 C ATOM 304 O SER A 18 16.078 9.834 -19.366 1.00 0.00 O ATOM 305 CB SER A 18 18.113 8.826 -16.752 1.00 0.00 C ATOM 306 OG SER A 18 18.641 9.368 -15.552 1.00 0.00 O ATOM 0 H SER A 18 16.339 10.673 -16.609 1.00 0.00 H new ATOM 0 HA SER A 18 18.856 10.308 -18.110 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.172 8.318 -16.543 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.798 8.077 -17.150 1.00 0.00 H new ATOM 0 HG SER A 18 18.776 8.649 -14.900 1.00 0.00 H new ATOM 312 N GLY A 19 17.724 8.336 -19.635 1.00 0.00 N ATOM 313 CA GLY A 19 17.131 7.768 -20.835 1.00 0.00 C ATOM 314 C GLY A 19 15.968 6.830 -20.549 1.00 0.00 C ATOM 315 O GLY A 19 15.796 5.816 -21.229 1.00 0.00 O ATOM 0 H GLY A 19 18.588 7.886 -19.332 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.786 8.577 -21.478 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.898 7.226 -21.388 1.00 0.00 H new ATOM 319 N HIS A 20 15.172 7.158 -19.539 1.00 0.00 N ATOM 320 CA HIS A 20 13.981 6.380 -19.223 1.00 0.00 C ATOM 321 C HIS A 20 12.784 6.956 -19.964 1.00 0.00 C ATOM 322 O HIS A 20 12.498 8.149 -19.856 1.00 0.00 O ATOM 323 CB HIS A 20 13.675 6.381 -17.722 1.00 0.00 C ATOM 324 CG HIS A 20 14.792 5.917 -16.841 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.557 6.781 -16.087 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.247 4.674 -16.563 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.438 6.089 -15.386 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.268 4.809 -15.656 1.00 0.00 N ATOM 0 H HIS A 20 15.330 7.957 -18.925 1.00 0.00 H new ATOM 0 HA HIS A 20 14.172 5.353 -19.533 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.397 7.392 -17.425 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.807 5.746 -17.545 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.876 3.748 -16.977 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.171 6.501 -14.708 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.809 4.043 -15.255 1.00 0.00 H new ATOM 337 N THR A 21 12.093 6.113 -20.707 1.00 0.00 N ATOM 338 CA THR A 21 10.870 6.512 -21.380 1.00 0.00 C ATOM 339 C THR A 21 9.767 6.765 -20.363 1.00 0.00 C ATOM 340 O THR A 21 9.486 5.909 -19.516 1.00 0.00 O ATOM 341 CB THR A 21 10.413 5.433 -22.385 1.00 0.00 C ATOM 342 OG1 THR A 21 11.257 5.449 -23.545 1.00 0.00 O ATOM 343 CG2 THR A 21 8.957 5.624 -22.793 1.00 0.00 C ATOM 0 H THR A 21 12.360 5.141 -20.861 1.00 0.00 H new ATOM 0 HA THR A 21 11.073 7.432 -21.928 1.00 0.00 H new ATOM 0 HB THR A 21 10.495 4.464 -21.892 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.960 4.760 -24.175 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.672 4.846 -23.501 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.321 5.562 -21.910 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.835 6.601 -23.260 1.00 0.00 H new ATOM 351 N CYS A 22 9.183 7.953 -20.407 1.00 0.00 N ATOM 352 CA CYS A 22 8.054 8.261 -19.550 1.00 0.00 C ATOM 353 C CYS A 22 6.835 7.426 -19.938 1.00 0.00 C ATOM 354 O CYS A 22 6.306 7.557 -21.039 1.00 0.00 O ATOM 355 CB CYS A 22 7.706 9.743 -19.617 1.00 0.00 C ATOM 356 SG CYS A 22 8.873 10.825 -18.739 1.00 0.00 S ATOM 0 H CYS A 22 9.471 8.713 -21.023 1.00 0.00 H new ATOM 0 HA CYS A 22 8.339 8.015 -18.527 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.663 10.047 -20.663 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.709 9.889 -19.201 1.00 0.00 H new ATOM 361 N GLN A 23 6.425 6.545 -19.046 1.00 0.00 N ATOM 362 CA GLN A 23 5.185 5.803 -19.195 1.00 0.00 C ATOM 363 C GLN A 23 3.983 6.751 -19.134 1.00 0.00 C ATOM 364 O GLN A 23 3.961 7.692 -18.335 1.00 0.00 O ATOM 365 CB GLN A 23 5.091 4.756 -18.085 1.00 0.00 C ATOM 366 CG GLN A 23 3.726 4.121 -17.962 1.00 0.00 C ATOM 367 CD GLN A 23 3.260 4.069 -16.530 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.505 3.107 -15.806 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.607 5.129 -16.100 1.00 0.00 N ATOM 0 H GLN A 23 6.942 6.322 -18.196 1.00 0.00 H new ATOM 0 HA GLN A 23 5.177 5.306 -20.165 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.829 3.976 -18.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.352 5.222 -17.135 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.008 4.685 -18.558 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.757 3.111 -18.371 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.424 5.907 -16.734 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.284 5.172 -15.133 1.00 0.00 H new ATOM 378 N HIS A 24 2.988 6.483 -19.977 1.00 0.00 N ATOM 379 CA HIS A 24 1.798 7.331 -20.088 1.00 0.00 C ATOM 380 C HIS A 24 1.041 7.424 -18.768 1.00 0.00 C ATOM 381 O HIS A 24 0.943 6.453 -18.016 1.00 0.00 O ATOM 382 CB HIS A 24 0.857 6.790 -21.166 1.00 0.00 C ATOM 383 CG HIS A 24 1.432 6.827 -22.545 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.136 5.780 -23.095 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.408 7.796 -23.487 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.521 6.103 -24.314 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.092 7.321 -24.574 1.00 0.00 N ATOM 0 H HIS A 24 2.981 5.676 -20.601 1.00 0.00 H new ATOM 0 HA HIS A 24 2.141 8.329 -20.359 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.592 5.761 -20.921 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.067 7.369 -21.152 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.937 8.764 -23.399 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.090 5.476 -24.984 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.245 7.829 -25.445 1.00 0.00 H new ATOM 396 N TRP A 25 0.514 8.612 -18.497 1.00 0.00 N ATOM 397 CA TRP A 25 -0.267 8.864 -17.290 1.00 0.00 C ATOM 398 C TRP A 25 -1.578 8.097 -17.317 1.00 0.00 C ATOM 399 O TRP A 25 -2.083 7.679 -16.279 1.00 0.00 O ATOM 400 CB TRP A 25 -0.553 10.354 -17.130 1.00 0.00 C ATOM 401 CG TRP A 25 0.681 11.192 -17.032 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.172 12.045 -17.976 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.583 11.254 -15.924 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.321 12.637 -17.517 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.595 12.165 -16.262 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.627 10.629 -14.678 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.648 12.462 -15.398 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.669 10.921 -13.823 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.668 11.831 -14.183 1.00 0.00 C ATOM 0 H TRP A 25 0.615 9.425 -19.104 1.00 0.00 H new ATOM 0 HA TRP A 25 0.324 8.521 -16.441 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.147 10.695 -17.978 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.157 10.506 -16.236 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.723 12.227 -18.941 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.881 13.319 -18.029 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.858 9.928 -14.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.420 13.164 -15.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.714 10.438 -12.858 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.470 12.040 -13.490 1.00 0.00 H new ATOM 420 N SER A 26 -2.127 7.925 -18.507 1.00 0.00 N ATOM 421 CA SER A 26 -3.372 7.201 -18.684 1.00 0.00 C ATOM 422 C SER A 26 -3.140 5.691 -18.654 1.00 0.00 C ATOM 423 O SER A 26 -4.088 4.902 -18.652 1.00 0.00 O ATOM 424 CB SER A 26 -4.004 7.624 -20.006 1.00 0.00 C ATOM 425 OG SER A 26 -3.041 7.619 -21.048 1.00 0.00 O ATOM 0 H SER A 26 -1.724 8.282 -19.373 1.00 0.00 H new ATOM 0 HA SER A 26 -4.047 7.441 -17.862 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.821 6.948 -20.257 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.434 8.621 -19.907 1.00 0.00 H new ATOM 0 HG SER A 26 -3.466 7.891 -21.888 1.00 0.00 H new ATOM 431 N ALA A 27 -1.873 5.299 -18.622 1.00 0.00 N ATOM 432 CA ALA A 27 -1.495 3.897 -18.587 1.00 0.00 C ATOM 433 C ALA A 27 -1.172 3.468 -17.169 1.00 0.00 C ATOM 434 O ALA A 27 -0.292 4.034 -16.531 1.00 0.00 O ATOM 435 CB ALA A 27 -0.288 3.660 -19.479 1.00 0.00 C ATOM 0 H ALA A 27 -1.082 5.944 -18.620 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.335 3.305 -18.951 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.012 2.606 -19.446 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.533 3.939 -20.504 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.548 4.265 -19.128 1.00 0.00 H new ATOM 441 N GLN A 28 -1.879 2.471 -16.670 1.00 0.00 N ATOM 442 CA GLN A 28 -1.599 1.929 -15.347 1.00 0.00 C ATOM 443 C GLN A 28 -0.597 0.788 -15.455 1.00 0.00 C ATOM 444 O GLN A 28 -0.491 -0.064 -14.574 1.00 0.00 O ATOM 445 CB GLN A 28 -2.887 1.459 -14.683 1.00 0.00 C ATOM 446 CG GLN A 28 -3.811 2.595 -14.275 1.00 0.00 C ATOM 447 CD GLN A 28 -3.410 3.195 -12.955 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.899 2.788 -11.902 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.486 4.139 -12.999 1.00 0.00 N ATOM 0 H GLN A 28 -2.652 2.018 -17.158 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.165 2.713 -14.726 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.418 0.798 -15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.637 0.870 -13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.799 3.367 -15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.834 2.226 -14.210 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.110 4.444 -13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.148 4.563 -12.135 1.00 0.00 H new ATOM 458 N THR A 29 0.125 0.787 -16.560 1.00 0.00 N ATOM 459 CA THR A 29 1.169 -0.183 -16.828 1.00 0.00 C ATOM 460 C THR A 29 2.280 0.520 -17.609 1.00 0.00 C ATOM 461 O THR A 29 1.977 1.368 -18.448 1.00 0.00 O ATOM 462 CB THR A 29 0.607 -1.364 -17.652 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.566 -1.883 -17.009 1.00 0.00 O ATOM 464 CG2 THR A 29 1.630 -2.479 -17.810 1.00 0.00 C ATOM 0 H THR A 29 0.000 1.470 -17.307 1.00 0.00 H new ATOM 0 HA THR A 29 1.558 -0.581 -15.891 1.00 0.00 H new ATOM 0 HB THR A 29 0.360 -0.990 -18.645 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.922 -2.631 -17.533 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.197 -3.290 -18.395 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.512 -2.094 -18.322 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.915 -2.853 -16.827 1.00 0.00 H new ATOM 472 N PRO A 30 3.572 0.207 -17.376 1.00 0.00 N ATOM 473 CA PRO A 30 4.034 -0.835 -16.435 1.00 0.00 C ATOM 474 C PRO A 30 3.676 -0.586 -14.964 1.00 0.00 C ATOM 475 O PRO A 30 3.257 -1.506 -14.264 1.00 0.00 O ATOM 476 CB PRO A 30 5.560 -0.824 -16.605 1.00 0.00 C ATOM 477 CG PRO A 30 5.882 0.490 -17.234 1.00 0.00 C ATOM 478 CD PRO A 30 4.699 0.848 -18.075 1.00 0.00 C ATOM 0 HA PRO A 30 3.548 -1.783 -16.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.063 -0.933 -15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.891 -1.651 -17.233 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.065 1.251 -16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.785 0.421 -17.841 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.567 1.928 -18.143 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.803 0.475 -19.094 1.00 0.00 H new ATOM 486 N HIS A 31 3.842 0.641 -14.493 1.00 0.00 N ATOM 487 CA HIS A 31 3.692 0.921 -13.066 1.00 0.00 C ATOM 488 C HIS A 31 2.264 1.319 -12.703 1.00 0.00 C ATOM 489 O HIS A 31 1.673 2.196 -13.332 1.00 0.00 O ATOM 490 CB HIS A 31 4.683 1.996 -12.613 1.00 0.00 C ATOM 491 CG HIS A 31 6.099 1.509 -12.576 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.524 0.487 -11.755 1.00 0.00 N ATOM 493 CD2 HIS A 31 7.184 1.894 -13.283 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.807 0.264 -11.964 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.233 1.105 -12.888 1.00 0.00 N ATOM 0 H HIS A 31 4.078 1.451 -15.066 1.00 0.00 H new ATOM 0 HA HIS A 31 3.915 -0.005 -12.535 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.616 2.851 -13.286 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.400 2.348 -11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.219 2.679 -14.024 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.408 -0.481 -11.464 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.186 1.159 -13.249 1.00 0.00 H new ATOM 504 N THR A 32 1.728 0.674 -11.670 1.00 0.00 N ATOM 505 CA THR A 32 0.367 0.926 -11.206 1.00 0.00 C ATOM 506 C THR A 32 0.314 2.154 -10.293 1.00 0.00 C ATOM 507 O THR A 32 0.343 2.051 -9.065 1.00 0.00 O ATOM 508 CB THR A 32 -0.190 -0.308 -10.468 1.00 0.00 C ATOM 509 OG1 THR A 32 0.754 -0.761 -9.483 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.484 -1.432 -11.449 1.00 0.00 C ATOM 0 H THR A 32 2.224 -0.037 -11.132 1.00 0.00 H new ATOM 0 HA THR A 32 -0.253 1.123 -12.081 1.00 0.00 H new ATOM 0 HB THR A 32 -1.119 -0.022 -9.974 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.024 -0.007 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.876 -2.293 -10.908 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.221 -1.095 -12.178 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.434 -1.714 -11.965 1.00 0.00 H new ATOM 518 N HIS A 33 0.262 3.315 -10.917 1.00 0.00 N ATOM 519 CA HIS A 33 0.320 4.593 -10.203 1.00 0.00 C ATOM 520 C HIS A 33 -1.073 5.142 -9.920 1.00 0.00 C ATOM 521 O HIS A 33 -2.044 4.701 -10.509 1.00 0.00 O ATOM 522 CB HIS A 33 1.124 5.604 -11.016 1.00 0.00 C ATOM 523 CG HIS A 33 0.638 5.767 -12.426 1.00 0.00 C ATOM 524 ND1 HIS A 33 -0.076 6.858 -12.868 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.786 4.964 -13.502 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.342 6.713 -14.150 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.173 5.578 -14.554 1.00 0.00 N ATOM 0 H HIS A 33 0.179 3.408 -11.929 1.00 0.00 H new ATOM 0 HA HIS A 33 0.810 4.420 -9.245 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.088 6.571 -10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.169 5.293 -11.035 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.295 4.012 -13.525 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.891 7.411 -14.764 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.123 5.212 -15.505 1.00 0.00 H new ATOM 536 N ASN A 34 -1.160 6.127 -9.040 1.00 0.00 N ATOM 537 CA ASN A 34 -2.433 6.791 -8.779 1.00 0.00 C ATOM 538 C ASN A 34 -2.456 8.169 -9.423 1.00 0.00 C ATOM 539 O ASN A 34 -3.449 8.883 -9.355 1.00 0.00 O ATOM 540 CB ASN A 34 -2.709 6.918 -7.280 1.00 0.00 C ATOM 541 CG ASN A 34 -2.737 5.573 -6.574 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.772 4.910 -6.525 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.607 5.169 -6.012 1.00 0.00 N ATOM 0 H ASN A 34 -0.374 6.484 -8.497 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.217 6.173 -9.217 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.943 7.547 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.664 7.422 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.574 4.278 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.770 5.749 -6.075 1.00 0.00 H new ATOM 550 N ARG A 36 -1.345 8.553 -10.035 1.00 0.00 N ATOM 551 CA ARG A 36 -1.285 9.824 -10.750 1.00 0.00 C ATOM 552 C ARG A 36 -1.759 9.649 -12.182 1.00 0.00 C ATOM 553 O ARG A 36 -0.956 9.432 -13.086 1.00 0.00 O ATOM 554 CB ARG A 36 0.129 10.423 -10.735 1.00 0.00 C ATOM 555 CG ARG A 36 0.534 11.050 -9.406 1.00 0.00 C ATOM 556 CD ARG A 36 0.819 9.999 -8.351 1.00 0.00 C ATOM 557 NE ARG A 36 0.992 10.591 -7.028 1.00 0.00 N ATOM 558 CZ ARG A 36 0.011 10.710 -6.132 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.208 10.267 -6.405 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.252 11.270 -4.957 1.00 0.00 N ATOM 0 H ARG A 36 -0.481 8.011 -10.053 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.947 10.519 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.845 9.640 -10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.198 11.180 -11.516 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.419 11.669 -9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.262 11.709 -9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.000 9.281 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.719 9.446 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 36 1.918 10.934 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.402 9.831 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.952 10.362 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.188 11.611 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.498 11.361 -4.272 1.00 0.00 H new ATOM 574 N THR A 37 -3.061 9.726 -12.367 1.00 0.00 N ATOM 575 CA THR A 37 -3.678 9.571 -13.672 1.00 0.00 C ATOM 576 C THR A 37 -4.537 10.794 -13.961 1.00 0.00 C ATOM 577 O THR A 37 -4.959 11.481 -13.031 1.00 0.00 O ATOM 578 CB THR A 37 -4.555 8.298 -13.715 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.522 8.335 -12.657 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.699 7.047 -13.575 1.00 0.00 C ATOM 0 H THR A 37 -3.726 9.899 -11.613 1.00 0.00 H new ATOM 0 HA THR A 37 -2.896 9.475 -14.426 1.00 0.00 H new ATOM 0 HB THR A 37 -5.066 8.267 -14.678 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.075 7.527 -12.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.337 6.164 -13.608 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.979 7.005 -14.392 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.167 7.075 -12.624 1.00 0.00 H new ATOM 588 N PRO A 38 -4.784 11.108 -15.243 1.00 0.00 N ATOM 589 CA PRO A 38 -5.634 12.239 -15.628 1.00 0.00 C ATOM 590 C PRO A 38 -7.067 12.108 -15.107 1.00 0.00 C ATOM 591 O PRO A 38 -7.861 13.041 -15.211 1.00 0.00 O ATOM 592 CB PRO A 38 -5.607 12.236 -17.161 1.00 0.00 C ATOM 593 CG PRO A 38 -5.031 10.919 -17.565 1.00 0.00 C ATOM 594 CD PRO A 38 -4.221 10.413 -16.410 1.00 0.00 C ATOM 0 HA PRO A 38 -5.266 13.170 -15.198 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.610 12.364 -17.568 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.002 13.059 -17.541 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.823 10.214 -17.817 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.408 11.028 -18.453 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.305 9.331 -16.308 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.162 10.640 -16.536 1.00 0.00 H new ATOM 602 N GLU A 39 -7.399 10.939 -14.563 1.00 0.00 N ATOM 603 CA GLU A 39 -8.673 10.749 -13.882 1.00 0.00 C ATOM 604 C GLU A 39 -8.593 11.250 -12.445 1.00 0.00 C ATOM 605 O GLU A 39 -9.599 11.632 -11.852 1.00 0.00 O ATOM 606 CB GLU A 39 -9.081 9.277 -13.879 1.00 0.00 C ATOM 607 CG GLU A 39 -9.420 8.731 -15.251 1.00 0.00 C ATOM 608 CD GLU A 39 -9.996 7.336 -15.182 1.00 0.00 C ATOM 609 OE1 GLU A 39 -11.032 7.150 -14.507 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.412 6.414 -15.788 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.803 10.112 -14.582 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.424 11.323 -14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.270 8.686 -13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.944 9.151 -13.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.135 9.394 -15.738 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.522 8.722 -15.869 1.00 0.00 H new ATOM 617 N ASN A 40 -7.390 11.249 -11.893 1.00 0.00 N ATOM 618 CA ASN A 40 -7.180 11.674 -10.518 1.00 0.00 C ATOM 619 C ASN A 40 -6.691 13.107 -10.463 1.00 0.00 C ATOM 620 O ASN A 40 -6.923 13.821 -9.487 1.00 0.00 O ATOM 621 CB ASN A 40 -6.177 10.758 -9.811 1.00 0.00 C ATOM 622 CG ASN A 40 -6.845 9.586 -9.109 1.00 0.00 C ATOM 623 OD1 ASN A 40 -8.038 9.627 -8.804 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.072 8.553 -8.804 1.00 0.00 N ATOM 0 H ASN A 40 -6.541 10.958 -12.378 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.139 11.610 -10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.461 10.379 -10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.612 11.339 -9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.461 7.756 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.088 8.555 -9.073 1.00 0.00 H new ATOM 631 N PHE A 41 -6.021 13.521 -11.520 1.00 0.00 N ATOM 632 CA PHE A 41 -5.496 14.872 -11.620 1.00 0.00 C ATOM 633 C PHE A 41 -5.806 15.455 -13.000 1.00 0.00 C ATOM 634 O PHE A 41 -4.896 15.714 -13.788 1.00 0.00 O ATOM 635 CB PHE A 41 -3.984 14.869 -11.381 1.00 0.00 C ATOM 636 CG PHE A 41 -3.564 14.384 -10.021 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.399 13.028 -9.771 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.314 15.284 -8.999 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.997 12.584 -8.527 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.914 14.843 -7.751 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.754 13.492 -7.516 1.00 0.00 C ATOM 0 H PHE A 41 -5.825 12.935 -12.331 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.972 15.491 -10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.512 14.242 -12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.605 15.881 -11.524 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.587 12.313 -10.558 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.433 16.342 -9.179 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.873 11.527 -8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.727 15.555 -6.961 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.439 13.146 -6.543 1.00 0.00 H new ATOM 651 N PRO A 42 -7.099 15.665 -13.312 1.00 0.00 N ATOM 652 CA PRO A 42 -7.532 16.138 -14.635 1.00 0.00 C ATOM 653 C PRO A 42 -6.907 17.474 -15.023 1.00 0.00 C ATOM 654 O PRO A 42 -6.329 17.613 -16.101 1.00 0.00 O ATOM 655 CB PRO A 42 -9.051 16.279 -14.492 1.00 0.00 C ATOM 656 CG PRO A 42 -9.412 15.396 -13.349 1.00 0.00 C ATOM 657 CD PRO A 42 -8.245 15.453 -12.408 1.00 0.00 C ATOM 0 HA PRO A 42 -7.226 15.449 -15.422 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.335 17.313 -14.297 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.564 15.974 -15.404 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.325 15.739 -12.862 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.595 14.375 -13.685 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.347 16.265 -11.688 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.142 14.531 -11.836 1.00 0.00 H new ATOM 665 N SER A 43 -6.991 18.446 -14.128 1.00 0.00 N ATOM 666 CA SER A 43 -6.520 19.794 -14.424 1.00 0.00 C ATOM 667 C SER A 43 -5.018 19.920 -14.162 1.00 0.00 C ATOM 668 O SER A 43 -4.458 21.016 -14.188 1.00 0.00 O ATOM 669 CB SER A 43 -7.301 20.822 -13.594 1.00 0.00 C ATOM 670 OG SER A 43 -7.050 22.149 -14.035 1.00 0.00 O ATOM 0 H SER A 43 -7.380 18.329 -13.192 1.00 0.00 H new ATOM 0 HA SER A 43 -6.693 19.993 -15.482 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.368 20.611 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.024 20.728 -12.544 1.00 0.00 H new ATOM 0 HG SER A 43 -6.098 22.250 -14.243 1.00 0.00 H new ATOM 676 N LYS A 44 -4.361 18.791 -13.941 1.00 0.00 N ATOM 677 CA LYS A 44 -2.926 18.786 -13.696 1.00 0.00 C ATOM 678 C LYS A 44 -2.191 18.550 -15.006 1.00 0.00 C ATOM 679 O LYS A 44 -0.962 18.571 -15.063 1.00 0.00 O ATOM 680 CB LYS A 44 -2.553 17.716 -12.664 1.00 0.00 C ATOM 681 CG LYS A 44 -1.109 17.797 -12.184 1.00 0.00 C ATOM 682 CD LYS A 44 -0.817 19.109 -11.467 1.00 0.00 C ATOM 683 CE LYS A 44 -1.561 19.204 -10.144 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.353 20.516 -9.477 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.797 17.869 -13.926 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.631 19.754 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.217 17.807 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.727 16.731 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.903 16.964 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.438 17.693 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.255 19.196 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.103 19.945 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.626 19.050 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.227 18.405 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.526 20.418 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.375 20.834 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.012 21.216 -9.874 1.00 0.00 H new ATOM 698 N ASN A 45 -2.979 18.320 -16.058 1.00 0.00 N ATOM 699 CA ASN A 45 -2.460 18.198 -17.417 1.00 0.00 C ATOM 700 C ASN A 45 -1.659 16.918 -17.600 1.00 0.00 C ATOM 701 O ASN A 45 -0.578 16.924 -18.167 1.00 0.00 O ATOM 702 CB ASN A 45 -1.620 19.433 -17.783 1.00 0.00 C ATOM 703 CG ASN A 45 -2.473 20.596 -18.266 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.023 21.426 -19.058 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.712 20.671 -17.790 1.00 0.00 N ATOM 0 H ASN A 45 -3.991 18.214 -15.990 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.311 18.144 -18.096 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.043 19.747 -16.913 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.904 19.164 -18.560 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.324 21.434 -18.079 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.051 19.966 -17.136 1.00 0.00 H new ATOM 712 N LEU A 46 -2.213 15.805 -17.141 1.00 0.00 N ATOM 713 CA LEU A 46 -1.575 14.504 -17.328 1.00 0.00 C ATOM 714 C LEU A 46 -1.804 14.003 -18.751 1.00 0.00 C ATOM 715 O LEU A 46 -2.462 12.989 -18.988 1.00 0.00 O ATOM 716 CB LEU A 46 -2.096 13.502 -16.288 1.00 0.00 C ATOM 717 CG LEU A 46 -1.214 13.309 -15.039 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.317 14.512 -14.781 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.071 13.035 -13.812 1.00 0.00 C ATOM 0 H LEU A 46 -3.100 15.773 -16.638 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.500 14.609 -17.180 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.085 13.825 -15.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.220 12.534 -16.774 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.574 12.448 -15.233 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.287 14.332 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.338 14.668 -15.638 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.932 15.399 -14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.428 12.902 -12.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.743 13.877 -13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.657 12.130 -13.972 1.00 0.00 H new ATOM 731 N ASP A 47 -1.237 14.749 -19.688 1.00 0.00 N ATOM 732 CA ASP A 47 -1.350 14.466 -21.111 1.00 0.00 C ATOM 733 C ASP A 47 -0.274 13.490 -21.558 1.00 0.00 C ATOM 734 O ASP A 47 0.912 13.696 -21.279 1.00 0.00 O ATOM 735 CB ASP A 47 -1.213 15.758 -21.919 1.00 0.00 C ATOM 736 CG ASP A 47 -2.382 16.703 -21.743 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.401 16.533 -22.449 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.276 17.635 -20.923 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.679 15.577 -19.479 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.330 14.022 -21.285 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.296 16.267 -21.623 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.113 15.508 -22.975 1.00 0.00 H new ATOM 743 N GLU A 48 -0.699 12.446 -22.263 1.00 0.00 N ATOM 744 CA GLU A 48 0.201 11.437 -22.814 1.00 0.00 C ATOM 745 C GLU A 48 1.134 10.872 -21.751 1.00 0.00 C ATOM 746 O GLU A 48 0.731 10.066 -20.912 1.00 0.00 O ATOM 747 CB GLU A 48 1.038 11.993 -23.974 1.00 0.00 C ATOM 748 CG GLU A 48 0.287 12.158 -25.288 1.00 0.00 C ATOM 749 CD GLU A 48 -0.862 13.142 -25.212 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.993 12.726 -24.876 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.644 14.332 -25.502 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.683 12.275 -22.470 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.435 10.635 -23.189 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.442 12.962 -23.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.888 11.331 -24.139 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.986 12.487 -26.057 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.097 11.187 -25.601 1.00 0.00 H new ATOM 758 N ASN A 49 2.380 11.317 -21.791 1.00 0.00 N ATOM 759 CA ASN A 49 3.389 10.871 -20.851 1.00 0.00 C ATOM 760 C ASN A 49 4.395 11.981 -20.601 1.00 0.00 C ATOM 761 O ASN A 49 5.513 11.736 -20.164 1.00 0.00 O ATOM 762 CB ASN A 49 4.084 9.613 -21.377 1.00 0.00 C ATOM 763 CG ASN A 49 4.758 9.808 -22.725 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.132 9.650 -23.775 1.00 0.00 O ATOM 765 ND2 ASN A 49 6.038 10.122 -22.711 1.00 0.00 N ATOM 0 H ASN A 49 2.717 11.995 -22.474 1.00 0.00 H new ATOM 0 HA ASN A 49 2.908 10.623 -19.905 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.830 9.290 -20.651 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.351 8.811 -21.460 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.543 10.242 -23.589 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.523 10.245 -21.822 1.00 0.00 H new ATOM 772 N TYR A 50 3.981 13.206 -20.904 1.00 0.00 N ATOM 773 CA TYR A 50 4.813 14.384 -20.663 1.00 0.00 C ATOM 774 C TYR A 50 5.204 14.464 -19.194 1.00 0.00 C ATOM 775 O TYR A 50 4.412 14.114 -18.320 1.00 0.00 O ATOM 776 CB TYR A 50 4.067 15.666 -21.034 1.00 0.00 C ATOM 777 CG TYR A 50 3.405 15.651 -22.392 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.801 14.760 -23.383 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.379 16.542 -22.682 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.189 14.756 -24.621 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.764 16.543 -23.915 1.00 0.00 C ATOM 782 CZ TYR A 50 2.172 15.650 -24.878 1.00 0.00 C ATOM 783 OH TYR A 50 1.559 15.657 -26.108 1.00 0.00 O ATOM 0 H TYR A 50 3.072 13.412 -21.318 1.00 0.00 H new ATOM 0 HA TYR A 50 5.704 14.289 -21.284 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.306 15.857 -20.278 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.768 16.500 -20.998 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.599 14.061 -23.182 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.058 17.246 -21.928 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.505 14.058 -25.382 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.967 17.241 -24.124 1.00 0.00 H new ATOM 0 HH TYR A 50 0.603 15.471 -25.998 1.00 0.00 H new ATOM 793 N CYS A 51 6.418 14.925 -18.933 1.00 0.00 N ATOM 794 CA CYS A 51 6.902 15.086 -17.566 1.00 0.00 C ATOM 795 C CYS A 51 6.086 16.124 -16.799 1.00 0.00 C ATOM 796 O CYS A 51 6.394 17.315 -16.820 1.00 0.00 O ATOM 797 CB CYS A 51 8.367 15.496 -17.574 1.00 0.00 C ATOM 798 SG CYS A 51 9.494 14.243 -18.250 1.00 0.00 S ATOM 0 H CYS A 51 7.090 15.196 -19.651 1.00 0.00 H new ATOM 0 HA CYS A 51 6.791 14.126 -17.062 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.472 16.412 -18.155 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.672 15.729 -16.554 1.00 0.00 H new ATOM 803 N ARG A 52 5.036 15.665 -16.144 1.00 0.00 N ATOM 804 CA ARG A 52 4.191 16.531 -15.341 1.00 0.00 C ATOM 805 C ARG A 52 4.599 16.464 -13.875 1.00 0.00 C ATOM 806 O ARG A 52 5.531 15.750 -13.514 1.00 0.00 O ATOM 807 CB ARG A 52 2.732 16.120 -15.502 1.00 0.00 C ATOM 808 CG ARG A 52 2.232 16.208 -16.935 1.00 0.00 C ATOM 809 CD ARG A 52 2.420 17.601 -17.515 1.00 0.00 C ATOM 810 NE ARG A 52 1.852 17.712 -18.856 1.00 0.00 N ATOM 811 CZ ARG A 52 1.509 18.867 -19.427 1.00 0.00 C ATOM 812 NH1 ARG A 52 1.793 20.014 -18.832 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.876 18.878 -20.594 1.00 0.00 N ATOM 0 H ARG A 52 4.745 14.687 -16.153 1.00 0.00 H new ATOM 0 HA ARG A 52 4.312 17.558 -15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.609 15.098 -15.145 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.112 16.755 -14.869 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.765 15.483 -17.551 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.176 15.940 -16.968 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.950 18.334 -16.859 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.483 17.840 -17.550 1.00 0.00 H new ATOM 0 HE ARG A 52 1.709 16.854 -19.388 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.276 20.017 -17.934 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.529 20.896 -19.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.649 17.999 -21.059 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.617 19.765 -21.025 1.00 0.00 H new ATOM 827 N ASN A 53 3.902 17.204 -13.033 1.00 0.00 N ATOM 828 CA ASN A 53 4.133 17.135 -11.597 1.00 0.00 C ATOM 829 C ASN A 53 2.798 17.043 -10.851 1.00 0.00 C ATOM 830 O ASN A 53 2.380 17.986 -10.181 1.00 0.00 O ATOM 831 CB ASN A 53 4.924 18.354 -11.122 1.00 0.00 C ATOM 832 CG ASN A 53 5.446 18.203 -9.705 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.026 17.317 -8.960 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.357 19.083 -9.322 1.00 0.00 N ATOM 0 H ASN A 53 3.173 17.859 -13.315 1.00 0.00 H new ATOM 0 HA ASN A 53 4.717 16.240 -11.382 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.763 18.522 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.288 19.238 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.739 19.043 -8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.677 19.801 -9.972 1.00 0.00 H new ATOM 841 N PRO A 54 2.094 15.906 -10.987 1.00 0.00 N ATOM 842 CA PRO A 54 0.818 15.687 -10.302 1.00 0.00 C ATOM 843 C PRO A 54 0.982 15.420 -8.805 1.00 0.00 C ATOM 844 O PRO A 54 0.213 15.926 -7.988 1.00 0.00 O ATOM 845 CB PRO A 54 0.243 14.454 -11.001 1.00 0.00 C ATOM 846 CG PRO A 54 1.422 13.732 -11.563 1.00 0.00 C ATOM 847 CD PRO A 54 2.468 14.770 -11.852 1.00 0.00 C ATOM 0 HA PRO A 54 0.179 16.568 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.306 13.825 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.455 14.738 -11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.796 12.993 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.149 13.194 -12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.468 14.404 -11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.469 15.053 -12.905 1.00 0.00 H new ATOM 855 N ASP A 55 1.984 14.615 -8.459 1.00 0.00 N ATOM 856 CA ASP A 55 2.237 14.232 -7.069 1.00 0.00 C ATOM 857 C ASP A 55 2.673 15.426 -6.224 1.00 0.00 C ATOM 858 O ASP A 55 2.355 15.512 -5.040 1.00 0.00 O ATOM 859 CB ASP A 55 3.304 13.137 -7.013 1.00 0.00 C ATOM 860 CG ASP A 55 3.620 12.680 -5.602 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.780 11.983 -5.003 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 4.724 12.985 -5.105 1.00 0.00 O1- ATOM 0 H ASP A 55 2.640 14.211 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 55 1.303 13.854 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.968 12.281 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.217 13.504 -7.482 1.00 0.00 H new ATOM 867 N GLY A 56 3.401 16.344 -6.843 1.00 0.00 N ATOM 868 CA GLY A 56 3.885 17.509 -6.136 1.00 0.00 C ATOM 869 C GLY A 56 5.298 17.316 -5.635 1.00 0.00 C ATOM 870 O GLY A 56 5.534 17.207 -4.434 1.00 0.00 O ATOM 0 H GLY A 56 3.665 16.301 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.849 18.376 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.227 17.722 -5.294 1.00 0.00 H new ATOM 874 N LYS A 57 6.235 17.234 -6.563 1.00 0.00 N ATOM 875 CA LYS A 57 7.648 17.151 -6.230 1.00 0.00 C ATOM 876 C LYS A 57 8.308 18.494 -6.511 1.00 0.00 C ATOM 877 O LYS A 57 7.618 19.466 -6.823 1.00 0.00 O ATOM 878 CB LYS A 57 8.325 16.035 -7.035 1.00 0.00 C ATOM 879 CG LYS A 57 7.719 14.650 -6.815 1.00 0.00 C ATOM 880 CD LYS A 57 8.277 13.943 -5.580 1.00 0.00 C ATOM 881 CE LYS A 57 7.906 14.620 -4.265 1.00 0.00 C ATOM 882 NZ LYS A 57 6.440 14.614 -4.007 1.00 0.00 N1+ ATOM 0 H LYS A 57 6.040 17.223 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 57 7.757 16.913 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.267 16.281 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.382 16.003 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.638 14.744 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.905 14.034 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.913 12.916 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.363 13.895 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.417 14.115 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.264 15.649 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.089 15.592 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.956 14.094 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.250 14.151 -3.095 1.00 0.00 H new ATOM 896 N ARG A 59 9.623 18.557 -6.412 1.00 0.00 N ATOM 897 CA ARG A 59 10.338 19.805 -6.648 1.00 0.00 C ATOM 898 C ARG A 59 10.460 20.094 -8.140 1.00 0.00 C ATOM 899 O ARG A 59 10.707 21.230 -8.544 1.00 0.00 O ATOM 900 CB ARG A 59 11.728 19.725 -6.020 1.00 0.00 C ATOM 901 CG ARG A 59 12.641 18.722 -6.707 1.00 0.00 C ATOM 902 CD ARG A 59 13.948 18.547 -5.952 1.00 0.00 C ATOM 903 NE ARG A 59 15.029 18.083 -6.824 1.00 0.00 N ATOM 904 CZ ARG A 59 16.146 17.495 -6.391 1.00 0.00 C ATOM 905 NH1 ARG A 59 16.311 17.238 -5.099 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 17.099 17.162 -7.255 1.00 0.00 N ATOM 0 H ARG A 59 10.218 17.765 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 59 9.774 20.617 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.192 20.711 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.629 19.455 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.133 17.761 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.849 19.055 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.232 19.495 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.805 17.833 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 59 14.921 18.218 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.582 17.490 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.167 16.788 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.977 17.356 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.953 16.713 -6.924 1.00 0.00 H new ATOM 920 N ALA A 60 10.274 19.063 -8.950 1.00 0.00 N ATOM 921 CA ALA A 60 10.447 19.173 -10.390 1.00 0.00 C ATOM 922 C ALA A 60 9.534 18.188 -11.102 1.00 0.00 C ATOM 923 O ALA A 60 9.042 17.243 -10.480 1.00 0.00 O ATOM 924 CB ALA A 60 11.901 18.906 -10.765 1.00 0.00 C ATOM 0 H ALA A 60 10.001 18.133 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 60 10.184 20.184 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.020 18.991 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.544 19.635 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.180 17.901 -10.447 1.00 0.00 H new ATOM 930 N PRO A 61 9.284 18.406 -12.405 1.00 0.00 N ATOM 931 CA PRO A 61 8.500 17.485 -13.227 1.00 0.00 C ATOM 932 C PRO A 61 9.080 16.084 -13.204 1.00 0.00 C ATOM 933 O PRO A 61 10.303 15.902 -13.255 1.00 0.00 O ATOM 934 CB PRO A 61 8.601 18.072 -14.635 1.00 0.00 C ATOM 935 CG PRO A 61 8.890 19.507 -14.418 1.00 0.00 C ATOM 936 CD PRO A 61 9.732 19.572 -13.176 1.00 0.00 C ATOM 0 HA PRO A 61 7.475 17.391 -12.869 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.392 17.590 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.673 17.933 -15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.418 19.933 -15.271 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.969 20.077 -14.296 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.796 19.517 -13.407 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.572 20.502 -12.630 1.00 0.00 H new ATOM 944 N TRP A 62 8.208 15.108 -13.131 1.00 0.00 N ATOM 945 CA TRP A 62 8.618 13.731 -13.018 1.00 0.00 C ATOM 946 C TRP A 62 7.660 12.844 -13.794 1.00 0.00 C ATOM 947 O TRP A 62 6.598 13.293 -14.225 1.00 0.00 O ATOM 948 CB TRP A 62 8.657 13.321 -11.543 1.00 0.00 C ATOM 949 CG TRP A 62 7.312 13.332 -10.877 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.704 14.382 -10.245 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.411 12.230 -10.776 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.475 13.993 -9.764 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.276 12.672 -10.074 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.462 10.910 -11.211 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.197 11.830 -9.807 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.397 10.082 -10.944 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.279 10.542 -10.244 1.00 0.00 C ATOM 0 H TRP A 62 7.198 15.246 -13.148 1.00 0.00 H new ATOM 0 HA TRP A 62 9.617 13.615 -13.438 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.083 12.321 -11.464 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.324 13.995 -11.005 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.126 15.370 -10.139 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.819 14.590 -9.259 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.323 10.542 -11.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.328 12.186 -9.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.425 9.057 -11.282 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.463 9.863 -10.045 1.00 0.00 H new ATOM 968 N CYS A 63 8.024 11.593 -13.973 1.00 0.00 N ATOM 969 CA CYS A 63 7.146 10.657 -14.645 1.00 0.00 C ATOM 970 C CYS A 63 7.479 9.234 -14.230 1.00 0.00 C ATOM 971 O CYS A 63 8.460 8.992 -13.530 1.00 0.00 O ATOM 972 CB CYS A 63 7.273 10.812 -16.159 1.00 0.00 C ATOM 973 SG CYS A 63 8.809 10.116 -16.842 1.00 0.00 S ATOM 0 H CYS A 63 8.914 11.201 -13.666 1.00 0.00 H new ATOM 0 HA CYS A 63 6.117 10.871 -14.357 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.422 10.328 -16.637 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.221 11.871 -16.412 1.00 0.00 H new ATOM 978 N HIS A 64 6.645 8.296 -14.648 1.00 0.00 N ATOM 979 CA HIS A 64 6.862 6.892 -14.343 1.00 0.00 C ATOM 980 C HIS A 64 7.637 6.265 -15.478 1.00 0.00 C ATOM 981 O HIS A 64 7.236 6.380 -16.622 1.00 0.00 O ATOM 982 CB HIS A 64 5.523 6.169 -14.146 1.00 0.00 C ATOM 983 CG HIS A 64 4.716 6.734 -13.022 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.726 7.677 -13.198 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.771 6.493 -11.691 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.210 7.990 -12.025 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.825 7.287 -11.094 1.00 0.00 N ATOM 0 H HIS A 64 5.809 8.483 -15.201 1.00 0.00 H new ATOM 0 HA HIS A 64 7.428 6.803 -13.416 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.944 6.229 -15.068 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.711 5.112 -13.956 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.436 5.804 -11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.417 8.703 -11.855 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.629 7.327 -10.094 1.00 0.00 H new ATOM 996 N THR A 65 8.749 5.629 -15.177 1.00 0.00 N ATOM 997 CA THR A 65 9.574 5.054 -16.222 1.00 0.00 C ATOM 998 C THR A 65 8.954 3.759 -16.723 1.00 0.00 C ATOM 999 O THR A 65 8.334 3.019 -15.954 1.00 0.00 O ATOM 1000 CB THR A 65 11.013 4.780 -15.729 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.049 3.586 -14.946 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.529 5.938 -14.892 1.00 0.00 C ATOM 0 H THR A 65 9.101 5.497 -14.229 1.00 0.00 H new ATOM 0 HA THR A 65 9.626 5.778 -17.035 1.00 0.00 H new ATOM 0 HB THR A 65 11.650 4.664 -16.606 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.604 3.744 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.543 5.721 -14.557 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.532 6.848 -15.492 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.883 6.077 -14.025 1.00 0.00 H new ATOM 1010 N THR A 66 9.097 3.498 -18.013 1.00 0.00 N ATOM 1011 CA THR A 66 8.672 2.233 -18.587 1.00 0.00 C ATOM 1012 C THR A 66 9.668 1.120 -18.267 1.00 0.00 C ATOM 1013 O THR A 66 9.748 0.114 -18.971 1.00 0.00 O ATOM 1014 CB THR A 66 8.500 2.346 -20.108 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.666 2.946 -20.687 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.274 3.173 -20.442 1.00 0.00 C ATOM 0 H THR A 66 9.506 4.149 -18.684 1.00 0.00 H new ATOM 0 HA THR A 66 7.710 1.984 -18.140 1.00 0.00 H new ATOM 0 HB THR A 66 8.369 1.345 -20.520 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.884 2.493 -21.528 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.166 3.243 -21.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.389 2.698 -20.019 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.384 4.173 -20.023 1.00 0.00 H new ATOM 1024 N ASN A 67 10.424 1.314 -17.197 1.00 0.00 N ATOM 1025 CA ASN A 67 11.397 0.334 -16.752 1.00 0.00 C ATOM 1026 C ASN A 67 10.951 -0.264 -15.430 1.00 0.00 C ATOM 1027 O ASN A 67 10.239 0.377 -14.658 1.00 0.00 O ATOM 1028 CB ASN A 67 12.780 0.977 -16.589 1.00 0.00 C ATOM 1029 CG ASN A 67 13.362 1.460 -17.904 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.060 0.718 -18.589 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.089 2.709 -18.261 1.00 0.00 N ATOM 0 H ASN A 67 10.379 2.152 -16.617 1.00 0.00 H new ATOM 0 HA ASN A 67 11.467 -0.452 -17.504 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.706 1.818 -15.899 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.461 0.254 -16.139 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.464 3.084 -19.133 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.505 3.294 -17.664 1.00 0.00 H new ATOM 1038 N SER A 68 11.350 -1.497 -15.177 1.00 0.00 N ATOM 1039 CA SER A 68 11.050 -2.142 -13.912 1.00 0.00 C ATOM 1040 C SER A 68 12.254 -2.022 -12.980 1.00 0.00 C ATOM 1041 O SER A 68 12.217 -2.448 -11.825 1.00 0.00 O ATOM 1042 CB SER A 68 10.673 -3.609 -14.139 1.00 0.00 C ATOM 1043 OG SER A 68 10.209 -4.216 -12.946 1.00 0.00 O ATOM 0 H SER A 68 11.882 -2.072 -15.830 1.00 0.00 H new ATOM 0 HA SER A 68 10.198 -1.647 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.901 -3.673 -14.905 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.539 -4.155 -14.513 1.00 0.00 H new ATOM 0 HG SER A 68 10.712 -3.863 -12.182 1.00 0.00 H new ATOM 1049 N GLN A 69 13.319 -1.414 -13.494 1.00 0.00 N ATOM 1050 CA GLN A 69 14.530 -1.194 -12.720 1.00 0.00 C ATOM 1051 C GLN A 69 14.292 -0.065 -11.731 1.00 0.00 C ATOM 1052 O GLN A 69 14.754 -0.090 -10.590 1.00 0.00 O ATOM 1053 CB GLN A 69 15.686 -0.820 -13.650 1.00 0.00 C ATOM 1054 CG GLN A 69 15.746 -1.656 -14.916 1.00 0.00 C ATOM 1055 CD GLN A 69 16.957 -1.345 -15.774 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.464 -2.209 -16.481 1.00 0.00 O ATOM 1057 NE2 GLN A 69 17.429 -0.107 -15.724 1.00 0.00 N ATOM 0 H GLN A 69 13.365 -1.064 -14.451 1.00 0.00 H new ATOM 0 HA GLN A 69 14.786 -2.108 -12.185 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.595 0.231 -13.923 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.626 -0.929 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.760 -2.712 -14.647 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.841 -1.487 -15.500 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.981 0.586 -15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 69 18.240 0.153 -16.286 1.00 0.00 H new ATOM 1066 N VAL A 70 13.558 0.925 -12.201 1.00 0.00 N ATOM 1067 CA VAL A 70 13.212 2.088 -11.419 1.00 0.00 C ATOM 1068 C VAL A 70 11.731 2.384 -11.605 1.00 0.00 C ATOM 1069 O VAL A 70 11.158 2.051 -12.641 1.00 0.00 O ATOM 1070 CB VAL A 70 14.061 3.302 -11.855 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.906 3.561 -13.343 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.710 4.545 -11.055 1.00 0.00 C ATOM 0 H VAL A 70 13.182 0.941 -13.149 1.00 0.00 H new ATOM 0 HA VAL A 70 13.416 1.893 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 70 15.105 3.062 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.513 4.421 -13.628 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.234 2.684 -13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.859 3.765 -13.570 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.327 5.379 -11.389 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.658 4.789 -11.205 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.892 4.360 -9.996 1.00 0.00 H new ATOM 1082 N ARG A 71 11.101 2.973 -10.610 1.00 0.00 N ATOM 1083 CA ARG A 71 9.698 3.310 -10.724 1.00 0.00 C ATOM 1084 C ARG A 71 9.527 4.648 -11.442 1.00 0.00 C ATOM 1085 O ARG A 71 9.462 4.692 -12.673 1.00 0.00 O ATOM 1086 CB ARG A 71 9.036 3.330 -9.349 1.00 0.00 C ATOM 1087 CG ARG A 71 7.550 3.649 -9.384 1.00 0.00 C ATOM 1088 CD ARG A 71 6.914 3.452 -8.021 1.00 0.00 C ATOM 1089 NE ARG A 71 7.616 4.190 -6.968 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.405 3.997 -5.667 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.522 3.090 -5.270 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.083 4.703 -4.767 1.00 0.00 N ATOM 0 H ARG A 71 11.533 3.226 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 71 9.203 2.543 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.178 2.359 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.541 4.067 -8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.404 4.679 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.055 3.009 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.874 3.776 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.908 2.390 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 71 8.304 4.890 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.007 2.543 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.358 2.940 -4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.767 5.395 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.919 4.552 -3.772 1.00 0.00 H new ATOM 1106 N TRP A 72 9.428 5.726 -10.683 1.00 0.00 N ATOM 1107 CA TRP A 72 9.340 7.056 -11.262 1.00 0.00 C ATOM 1108 C TRP A 72 10.721 7.694 -11.316 1.00 0.00 C ATOM 1109 O TRP A 72 11.643 7.225 -10.654 1.00 0.00 O ATOM 1110 CB TRP A 72 8.360 7.932 -10.475 1.00 0.00 C ATOM 1111 CG TRP A 72 8.807 8.247 -9.088 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.793 7.412 -8.017 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.325 9.495 -8.621 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.277 8.055 -6.912 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.610 9.338 -7.253 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.581 10.726 -9.227 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.136 10.368 -6.481 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.101 11.748 -8.460 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.374 11.565 -7.100 1.00 0.00 C ATOM 0 H TRP A 72 9.407 5.706 -9.663 1.00 0.00 H new ATOM 0 HA TRP A 72 8.959 6.968 -12.280 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.207 8.865 -11.017 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.395 7.428 -10.429 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.449 6.388 -8.036 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.374 7.645 -5.983 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.376 10.876 -10.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.349 10.228 -5.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.301 12.706 -8.917 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.781 12.385 -6.527 1.00 0.00 H new ATOM 1130 N GLU A 73 10.854 8.754 -12.095 1.00 0.00 N ATOM 1131 CA GLU A 73 12.103 9.498 -12.195 1.00 0.00 C ATOM 1132 C GLU A 73 11.813 10.952 -12.532 1.00 0.00 C ATOM 1133 O GLU A 73 10.776 11.266 -13.119 1.00 0.00 O ATOM 1134 CB GLU A 73 13.018 8.892 -13.265 1.00 0.00 C ATOM 1135 CG GLU A 73 13.936 7.791 -12.749 1.00 0.00 C ATOM 1136 CD GLU A 73 14.974 8.306 -11.768 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.959 8.929 -12.217 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 14.806 8.103 -10.545 1.00 0.00 O1- ATOM 0 H GLU A 73 10.102 9.125 -12.676 1.00 0.00 H new ATOM 0 HA GLU A 73 12.613 9.441 -11.233 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.402 8.489 -14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.628 9.685 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.336 7.020 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.441 7.320 -13.592 1.00 0.00 H new ATOM 1145 N TYR A 74 12.725 11.832 -12.142 1.00 0.00 N ATOM 1146 CA TYR A 74 12.608 13.249 -12.455 1.00 0.00 C ATOM 1147 C TYR A 74 12.971 13.506 -13.906 1.00 0.00 C ATOM 1148 O TYR A 74 13.556 12.651 -14.572 1.00 0.00 O ATOM 1149 CB TYR A 74 13.534 14.083 -11.569 1.00 0.00 C ATOM 1150 CG TYR A 74 13.088 14.193 -10.130 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.942 14.903 -9.790 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.825 13.604 -9.111 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.543 15.019 -8.470 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.432 13.714 -7.793 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.291 14.421 -7.479 1.00 0.00 C ATOM 1156 OH TYR A 74 11.897 14.533 -6.168 1.00 0.00 O ATOM 0 H TYR A 74 13.558 11.588 -11.606 1.00 0.00 H new ATOM 0 HA TYR A 74 11.573 13.538 -12.274 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.532 13.646 -11.595 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.614 15.085 -11.990 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.355 15.370 -10.567 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.720 13.051 -9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.652 15.574 -8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.015 13.249 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 74 12.531 14.054 -5.594 1.00 0.00 H new ATOM 1166 N CYS A 75 12.637 14.691 -14.386 1.00 0.00 N ATOM 1167 CA CYS A 75 13.011 15.100 -15.731 1.00 0.00 C ATOM 1168 C CYS A 75 13.770 16.414 -15.684 1.00 0.00 C ATOM 1169 O CYS A 75 13.446 17.302 -14.891 1.00 0.00 O ATOM 1170 CB CYS A 75 11.777 15.264 -16.612 1.00 0.00 C ATOM 1171 SG CYS A 75 10.671 13.825 -16.655 1.00 0.00 S ATOM 0 H CYS A 75 12.107 15.389 -13.864 1.00 0.00 H new ATOM 0 HA CYS A 75 13.647 14.323 -16.155 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.212 16.128 -16.263 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.101 15.485 -17.629 1.00 0.00 H new ATOM 1176 N LYS A 76 14.776 16.543 -16.527 1.00 0.00 N ATOM 1177 CA LYS A 76 15.554 17.764 -16.576 1.00 0.00 C ATOM 1178 C LYS A 76 14.946 18.734 -17.572 1.00 0.00 C ATOM 1179 O LYS A 76 15.306 18.745 -18.749 1.00 0.00 O ATOM 1180 CB LYS A 76 17.013 17.476 -16.926 1.00 0.00 C ATOM 1181 CG LYS A 76 17.881 18.725 -16.975 1.00 0.00 C ATOM 1182 CD LYS A 76 19.358 18.375 -17.039 1.00 0.00 C ATOM 1183 CE LYS A 76 20.228 19.613 -17.183 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.896 20.652 -16.175 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.072 15.821 -17.184 1.00 0.00 H new ATOM 0 HA LYS A 76 15.534 18.220 -15.586 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.425 16.785 -16.191 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.055 16.975 -17.893 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.610 19.324 -17.845 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.689 19.337 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.642 17.834 -16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.536 17.706 -17.881 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.276 19.332 -17.081 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.105 20.027 -18.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.635 21.384 -16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.980 21.085 -16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.840 20.216 -15.232 1.00 0.00 H new ATOM 1198 N ILE A 77 13.988 19.518 -17.107 1.00 0.00 N ATOM 1199 CA ILE A 77 13.432 20.578 -17.924 1.00 0.00 C ATOM 1200 C ILE A 77 14.366 21.778 -17.813 1.00 0.00 C ATOM 1201 O ILE A 77 15.003 21.951 -16.772 1.00 0.00 O ATOM 1202 CB ILE A 77 12.004 20.966 -17.454 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.140 19.720 -17.241 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.333 21.907 -18.443 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.151 18.743 -18.396 1.00 0.00 C ATOM 0 H ILE A 77 13.583 19.440 -16.174 1.00 0.00 H new ATOM 0 HA ILE A 77 13.348 20.242 -18.957 1.00 0.00 H new ATOM 0 HB ILE A 77 12.104 21.487 -16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.482 19.205 -16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.112 20.033 -17.057 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.335 22.160 -18.085 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.925 22.817 -18.539 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.257 21.420 -19.415 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.513 17.892 -18.159 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.778 19.237 -19.294 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.170 18.396 -18.569 1.00 0.00 H new ATOM 1217 N PRO A 78 14.514 22.601 -18.868 1.00 0.00 N ATOM 1218 CA PRO A 78 15.322 23.814 -18.787 1.00 0.00 C ATOM 1219 C PRO A 78 14.729 24.781 -17.777 1.00 0.00 C ATOM 1220 O PRO A 78 13.726 24.486 -17.153 1.00 0.00 O ATOM 1221 CB PRO A 78 15.260 24.398 -20.201 1.00 0.00 C ATOM 1222 CG PRO A 78 14.837 23.264 -21.060 1.00 0.00 C ATOM 1223 CD PRO A 78 13.923 22.442 -20.202 1.00 0.00 C ATOM 0 HA PRO A 78 16.344 23.620 -18.461 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.550 25.223 -20.258 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.229 24.789 -20.511 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.325 23.617 -21.955 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.695 22.680 -21.393 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.896 22.806 -20.237 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.902 21.398 -20.515 1.00 0.00 H new ATOM 1231 N SER A 79 15.302 25.945 -17.658 1.00 0.00 N ATOM 1232 CA SER A 79 14.913 26.864 -16.606 1.00 0.00 C ATOM 1233 C SER A 79 15.265 28.285 -16.980 1.00 0.00 C ATOM 1234 O SER A 79 16.340 28.555 -17.512 1.00 0.00 O ATOM 1235 CB SER A 79 15.595 26.498 -15.279 1.00 0.00 C ATOM 1236 OG SER A 79 15.051 25.317 -14.715 1.00 0.00 O ATOM 0 H SER A 79 16.041 26.287 -18.272 1.00 0.00 H new ATOM 0 HA SER A 79 13.833 26.786 -16.481 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.664 26.362 -15.445 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.484 27.322 -14.574 1.00 0.00 H new ATOM 0 HG SER A 79 15.510 25.115 -13.873 1.00 0.00 H new ATOM 1242 N CYS A 80 14.345 29.181 -16.713 1.00 0.00 N ATOM 1243 CA CYS A 80 14.589 30.594 -16.871 1.00 0.00 C ATOM 1244 C CYS A 80 15.137 31.143 -15.555 1.00 0.00 C ATOM 1245 O CYS A 80 15.649 32.263 -15.490 1.00 0.00 O ATOM 1246 CB CYS A 80 13.302 31.303 -17.306 1.00 0.00 C ATOM 1247 SG CYS A 80 12.759 30.867 -19.002 1.00 0.00 S ATOM 0 H CYS A 80 13.408 28.951 -16.381 1.00 0.00 H new ATOM 0 HA CYS A 80 15.328 30.773 -17.652 1.00 0.00 H new ATOM 0 HB2 CYS A 80 12.506 31.055 -16.604 1.00 0.00 H new ATOM 0 HB3 CYS A 80 13.454 32.381 -17.248 1.00 0.00 H new ATOM 1252 N ASP A 81 15.033 30.321 -14.507 1.00 0.00 N ATOM 1253 CA ASP A 81 15.711 30.584 -13.236 1.00 0.00 C ATOM 1254 C ASP A 81 17.196 30.300 -13.397 1.00 0.00 C ATOM 1255 O ASP A 81 18.035 30.895 -12.718 1.00 0.00 O ATOM 1256 CB ASP A 81 15.177 29.679 -12.113 1.00 0.00 C ATOM 1257 CG ASP A 81 13.678 29.749 -11.927 1.00 0.00 C ATOM 1258 OD1 ASP A 81 13.187 30.734 -11.344 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 12.984 28.793 -12.342 1.00 0.00 O1- ATOM 0 H ASP A 81 14.482 29.463 -14.515 1.00 0.00 H new ATOM 0 HA ASP A 81 15.529 31.625 -12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.459 28.648 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 81 15.662 29.955 -11.177 1.00 0.00 H new ATOM 1264 N SER A 82 17.488 29.380 -14.316 1.00 0.00 N ATOM 1265 CA SER A 82 18.841 28.901 -14.580 1.00 0.00 C ATOM 1266 C SER A 82 19.348 28.061 -13.406 1.00 0.00 C ATOM 1267 O SER A 82 18.699 27.041 -13.088 1.00 0.00 O ATOM 1268 CB SER A 82 19.786 30.071 -14.868 1.00 0.00 C ATOM 1269 OG SER A 82 19.221 30.955 -15.826 1.00 0.00 O ATOM 1270 OXT SER A 82 20.396 28.408 -12.821 1.00 0.00 O1- ATOM 0 H SER A 82 16.780 28.942 -14.905 1.00 0.00 H new ATOM 0 HA SER A 82 18.816 28.267 -15.467 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.993 30.613 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.740 29.692 -15.235 1.00 0.00 H new ATOM 0 HG SER A 82 19.841 31.695 -15.993 1.00 0.00 H new TER 1276 SER A 82