USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 26 HIS : no HD1:sc= -2.45 K(o=-2.8,f=-0.77) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -165:sc= -0.337 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot -58:sc= 0.75 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 80:sc= -0.109 USER MOD Single : A 8 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 13 GLN : amide:sc= -0.455 K(o=-0.45,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 27 HIS : no HD1:sc= -2.35 K(o=-2.3,f=-6!) USER MOD Single : A 30 TYR OH : rot 120:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.00979) USER MOD Single : A 39 HIS : no HE2:sc= -0.18 X(o=-0.18,f=-0.59) USER MOD Single : A 49 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 20:sc= 1.27 USER MOD Single : A 57 ASN : amide:sc= -3.53 X(o=-3.5,f=-3.9!) USER MOD Single : A 63 HIS : no HD1:sc= 0.144 K(o=0.14,f=-1.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 74 TYR OH : rot 95:sc= 0.059 USER MOD Single : A 80 HIS : no HD1:sc= -0.878 K(o=-0.88,f=-5.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.234 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -100:sc= -0.189 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.220 0.681 17.742 1.00 0.00 N ATOM 2 CA ASP A 1 1.181 -0.111 17.023 1.00 0.00 C ATOM 3 C ASP A 1 -0.132 0.674 16.955 1.00 0.00 C ATOM 4 O ASP A 1 -0.958 0.596 17.845 1.00 0.00 O ATOM 5 CB ASP A 1 1.004 -1.381 17.856 1.00 0.00 C ATOM 6 CG ASP A 1 0.015 -2.316 17.158 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.119 -1.909 16.964 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.407 -3.423 16.829 1.00 0.00 O ATOM 0 H1 ASP A 1 3.106 0.137 17.781 1.00 0.00 H new ATOM 0 H2 ASP A 1 2.385 1.576 17.238 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.895 0.883 18.709 1.00 0.00 H new ATOM 0 HA ASP A 1 1.470 -0.334 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.964 -1.881 17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.640 -1.128 18.852 1.00 0.00 H new ATOM 13 N LYS A 2 -0.343 1.401 15.888 1.00 0.00 N ATOM 14 CA LYS A 2 -1.619 2.160 15.731 1.00 0.00 C ATOM 15 C LYS A 2 -2.685 1.274 15.082 1.00 0.00 C ATOM 16 O LYS A 2 -2.409 0.170 14.654 1.00 0.00 O ATOM 17 CB LYS A 2 -1.271 3.337 14.818 1.00 0.00 C ATOM 18 CG LYS A 2 -2.110 4.554 15.210 1.00 0.00 C ATOM 19 CD LYS A 2 -1.322 5.833 14.920 1.00 0.00 C ATOM 20 CE LYS A 2 -1.668 6.342 13.520 1.00 0.00 C ATOM 21 NZ LYS A 2 -0.880 7.595 13.360 1.00 0.00 N ATOM 0 H LYS A 2 0.316 1.502 15.116 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.022 2.492 16.688 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.210 3.572 14.899 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.460 3.072 13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.047 4.558 14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.368 4.505 16.268 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.558 6.594 15.663 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.252 5.638 14.993 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.404 5.610 12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.737 6.533 13.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.065 8.004 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.158 8.276 14.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.134 7.382 13.451 1.00 0.00 H new ATOM 35 N ASP A 3 -3.893 1.770 14.973 1.00 0.00 N ATOM 36 CA ASP A 3 -4.975 0.980 14.313 1.00 0.00 C ATOM 37 C ASP A 3 -5.091 1.373 12.838 1.00 0.00 C ATOM 38 O ASP A 3 -4.706 2.459 12.445 1.00 0.00 O ATOM 39 CB ASP A 3 -6.252 1.350 15.068 1.00 0.00 C ATOM 40 CG ASP A 3 -6.128 0.908 16.527 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.173 -0.287 16.770 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.992 1.772 17.378 1.00 0.00 O ATOM 0 H ASP A 3 -4.175 2.689 15.313 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.780 -0.092 14.342 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.419 2.426 15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.114 0.870 14.604 1.00 0.00 H new ATOM 47 N VAL A 4 -5.654 0.511 12.028 1.00 0.00 N ATOM 48 CA VAL A 4 -5.840 0.842 10.585 1.00 0.00 C ATOM 49 C VAL A 4 -7.103 1.692 10.397 1.00 0.00 C ATOM 50 O VAL A 4 -8.118 1.460 11.026 1.00 0.00 O ATOM 51 CB VAL A 4 -5.982 -0.518 9.884 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.299 -0.322 8.390 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.672 -1.298 10.027 1.00 0.00 C ATOM 0 H VAL A 4 -5.993 -0.410 12.307 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.011 1.421 10.178 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.799 -1.072 10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.396 -1.295 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.233 0.230 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.492 0.238 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.768 -2.264 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.860 -0.733 9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.454 -1.453 11.084 1.00 0.00 H new ATOM 63 N LYS A 5 -7.066 2.611 9.467 1.00 0.00 N ATOM 64 CA LYS A 5 -8.282 3.412 9.145 1.00 0.00 C ATOM 65 C LYS A 5 -8.749 3.090 7.724 1.00 0.00 C ATOM 66 O LYS A 5 -7.946 2.849 6.841 1.00 0.00 O ATOM 67 CB LYS A 5 -7.837 4.871 9.248 1.00 0.00 C ATOM 68 CG LYS A 5 -8.045 5.370 10.679 1.00 0.00 C ATOM 69 CD LYS A 5 -6.752 5.189 11.477 1.00 0.00 C ATOM 70 CE LYS A 5 -6.628 6.311 12.510 1.00 0.00 C ATOM 71 NZ LYS A 5 -5.914 5.694 13.663 1.00 0.00 N ATOM 0 H LYS A 5 -6.240 2.841 8.914 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.114 3.197 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.787 4.962 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.407 5.486 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.335 6.421 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.857 4.819 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.753 4.220 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.893 5.202 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.072 7.158 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.608 6.685 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.791 6.402 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.470 4.895 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.982 5.353 13.352 1.00 0.00 H new ATOM 85 N TYR A 6 -10.037 3.099 7.493 1.00 0.00 N ATOM 86 CA TYR A 6 -10.556 2.809 6.123 1.00 0.00 C ATOM 87 C TYR A 6 -10.436 4.052 5.238 1.00 0.00 C ATOM 88 O TYR A 6 -11.379 4.804 5.077 1.00 0.00 O ATOM 89 CB TYR A 6 -12.023 2.428 6.324 1.00 0.00 C ATOM 90 CG TYR A 6 -12.105 0.994 6.788 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.672 -0.039 5.949 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.611 0.697 8.059 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.745 -1.369 6.379 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.685 -0.633 8.490 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.251 -1.666 7.650 1.00 0.00 C ATOM 96 OH TYR A 6 -12.324 -2.977 8.075 1.00 0.00 O ATOM 0 H TYR A 6 -10.751 3.295 8.194 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.996 2.015 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.485 3.087 7.059 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.575 2.553 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.281 0.190 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.944 1.494 8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.411 -2.166 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.077 -0.862 9.470 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.698 -3.007 8.980 1.00 0.00 H new ATOM 106 N TYR A 7 -9.293 4.243 4.627 1.00 0.00 N ATOM 107 CA TYR A 7 -9.116 5.406 3.705 1.00 0.00 C ATOM 108 C TYR A 7 -10.092 5.298 2.531 1.00 0.00 C ATOM 109 O TYR A 7 -11.028 4.520 2.563 1.00 0.00 O ATOM 110 CB TYR A 7 -7.667 5.316 3.210 1.00 0.00 C ATOM 111 CG TYR A 7 -6.713 5.405 4.382 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.831 6.449 5.310 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.705 4.446 4.537 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.944 6.531 6.390 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.819 4.528 5.617 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.938 5.571 6.544 1.00 0.00 C ATOM 117 OH TYR A 7 -4.065 5.652 7.609 1.00 0.00 O ATOM 0 H TYR A 7 -8.474 3.643 4.727 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.314 6.357 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.514 4.378 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.465 6.121 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.607 7.191 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.611 3.642 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.036 7.336 7.105 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.043 3.786 5.736 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.496 5.295 8.413 1.00 0.00 H new ATOM 127 N THR A 8 -9.859 6.045 1.481 1.00 0.00 N ATOM 128 CA THR A 8 -10.748 5.959 0.283 1.00 0.00 C ATOM 129 C THR A 8 -9.911 5.915 -0.999 1.00 0.00 C ATOM 130 O THR A 8 -8.695 5.922 -0.957 1.00 0.00 O ATOM 131 CB THR A 8 -11.597 7.230 0.326 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.746 8.367 0.316 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.445 7.236 1.600 1.00 0.00 C ATOM 0 H THR A 8 -9.091 6.711 1.402 1.00 0.00 H new ATOM 0 HA THR A 8 -11.362 5.058 0.290 1.00 0.00 H new ATOM 0 HB THR A 8 -12.252 7.259 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.289 9.182 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.050 8.142 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.098 6.363 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.792 7.207 2.472 1.00 0.00 H new ATOM 141 N LEU A 9 -10.558 5.899 -2.136 1.00 0.00 N ATOM 142 CA LEU A 9 -9.813 5.889 -3.431 1.00 0.00 C ATOM 143 C LEU A 9 -9.446 7.319 -3.844 1.00 0.00 C ATOM 144 O LEU A 9 -8.311 7.606 -4.169 1.00 0.00 O ATOM 145 CB LEU A 9 -10.786 5.266 -4.443 1.00 0.00 C ATOM 146 CG LEU A 9 -10.303 3.869 -4.848 1.00 0.00 C ATOM 147 CD1 LEU A 9 -10.297 2.948 -3.624 1.00 0.00 C ATOM 148 CD2 LEU A 9 -11.244 3.296 -5.910 1.00 0.00 C ATOM 0 H LEU A 9 -11.574 5.892 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.879 5.331 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.783 5.202 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.863 5.902 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.293 3.939 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.953 1.956 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.628 3.355 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.306 2.877 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.903 2.302 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.253 3.229 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.247 3.948 -6.783 1.00 0.00 H new ATOM 160 N GLU A 10 -10.399 8.215 -3.816 1.00 0.00 N ATOM 161 CA GLU A 10 -10.112 9.636 -4.188 1.00 0.00 C ATOM 162 C GLU A 10 -9.050 10.231 -3.259 1.00 0.00 C ATOM 163 O GLU A 10 -8.314 11.123 -3.640 1.00 0.00 O ATOM 164 CB GLU A 10 -11.442 10.374 -4.020 1.00 0.00 C ATOM 165 CG GLU A 10 -12.260 10.256 -5.308 1.00 0.00 C ATOM 166 CD GLU A 10 -13.268 11.403 -5.380 1.00 0.00 C ATOM 167 OE1 GLU A 10 -14.100 11.492 -4.492 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.192 12.174 -6.322 1.00 0.00 O ATOM 0 H GLU A 10 -11.366 8.025 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.725 9.719 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.000 9.954 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.261 11.423 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.599 10.284 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.780 9.299 -5.334 1.00 0.00 H new ATOM 175 N GLU A 11 -8.951 9.730 -2.053 1.00 0.00 N ATOM 176 CA GLU A 11 -7.916 10.248 -1.106 1.00 0.00 C ATOM 177 C GLU A 11 -6.540 9.671 -1.451 1.00 0.00 C ATOM 178 O GLU A 11 -5.553 10.381 -1.484 1.00 0.00 O ATOM 179 CB GLU A 11 -8.368 9.772 0.277 1.00 0.00 C ATOM 180 CG GLU A 11 -7.417 10.320 1.343 1.00 0.00 C ATOM 181 CD GLU A 11 -7.962 11.644 1.882 1.00 0.00 C ATOM 182 OE1 GLU A 11 -9.044 11.632 2.446 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.289 12.648 1.720 1.00 0.00 O ATOM 0 H GLU A 11 -9.542 8.985 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.823 11.333 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.385 10.109 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.381 8.683 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.311 9.601 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.425 10.469 0.918 1.00 0.00 H new ATOM 190 N ILE A 12 -6.475 8.395 -1.733 1.00 0.00 N ATOM 191 CA ILE A 12 -5.169 7.771 -2.108 1.00 0.00 C ATOM 192 C ILE A 12 -4.833 8.073 -3.575 1.00 0.00 C ATOM 193 O ILE A 12 -3.681 8.071 -3.964 1.00 0.00 O ATOM 194 CB ILE A 12 -5.365 6.266 -1.895 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.731 5.999 -0.430 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.067 5.525 -2.234 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.059 4.515 -0.242 1.00 0.00 C ATOM 0 H ILE A 12 -7.271 7.757 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.344 8.159 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.167 5.913 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.903 6.283 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.587 6.610 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.209 4.455 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.803 5.712 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.265 5.881 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.319 4.329 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.901 4.245 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.191 3.913 -0.513 1.00 0.00 H new ATOM 209 N GLN A 13 -5.825 8.369 -4.381 1.00 0.00 N ATOM 210 CA GLN A 13 -5.558 8.713 -5.810 1.00 0.00 C ATOM 211 C GLN A 13 -5.349 10.226 -5.983 1.00 0.00 C ATOM 212 O GLN A 13 -5.431 10.742 -7.082 1.00 0.00 O ATOM 213 CB GLN A 13 -6.807 8.259 -6.566 1.00 0.00 C ATOM 214 CG GLN A 13 -6.851 6.730 -6.606 1.00 0.00 C ATOM 215 CD GLN A 13 -7.830 6.276 -7.691 1.00 0.00 C ATOM 216 OE1 GLN A 13 -8.072 6.989 -8.646 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.407 5.110 -7.585 1.00 0.00 N ATOM 0 H GLN A 13 -6.808 8.387 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.652 8.231 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.701 8.647 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.798 8.660 -7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.857 6.332 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.159 6.339 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.204 4.512 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.061 4.797 -8.303 1.00 0.00 H new ATOM 226 N LYS A 14 -5.036 10.930 -4.921 1.00 0.00 N ATOM 227 CA LYS A 14 -4.771 12.395 -5.041 1.00 0.00 C ATOM 228 C LYS A 14 -3.373 12.724 -4.508 1.00 0.00 C ATOM 229 O LYS A 14 -3.113 13.828 -4.066 1.00 0.00 O ATOM 230 CB LYS A 14 -5.844 13.063 -4.180 1.00 0.00 C ATOM 231 CG LYS A 14 -5.906 14.557 -4.511 1.00 0.00 C ATOM 232 CD LYS A 14 -6.937 14.793 -5.616 1.00 0.00 C ATOM 233 CE LYS A 14 -6.636 16.116 -6.323 1.00 0.00 C ATOM 234 NZ LYS A 14 -7.216 17.165 -5.439 1.00 0.00 N ATOM 0 H LYS A 14 -4.953 10.551 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.806 12.738 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.813 12.599 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.617 12.923 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.174 15.127 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.926 14.910 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.912 13.972 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.941 14.815 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.563 16.259 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.085 16.144 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.050 18.102 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.239 17.007 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.765 17.119 -4.503 1.00 0.00 H new ATOM 248 N HIS A 15 -2.463 11.785 -4.586 1.00 0.00 N ATOM 249 CA HIS A 15 -1.066 12.049 -4.128 1.00 0.00 C ATOM 250 C HIS A 15 -0.116 12.088 -5.327 1.00 0.00 C ATOM 251 O HIS A 15 0.357 11.065 -5.787 1.00 0.00 O ATOM 252 CB HIS A 15 -0.722 10.875 -3.210 1.00 0.00 C ATOM 253 CG HIS A 15 -1.548 10.956 -1.956 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.977 10.947 -0.693 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.903 11.049 -1.754 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.977 11.031 0.205 1.00 0.00 C ATOM 257 NE2 HIS A 15 -3.172 11.096 -0.389 1.00 0.00 N ATOM 0 H HIS A 15 -2.629 10.846 -4.948 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.973 13.007 -3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.912 9.932 -3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.339 10.894 -2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.647 11.081 -2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.831 11.044 1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.085 11.165 0.061 1.00 0.00 H new ATOM 266 N LYS A 16 0.199 13.265 -5.807 1.00 0.00 N ATOM 267 CA LYS A 16 1.160 13.382 -6.947 1.00 0.00 C ATOM 268 C LYS A 16 2.588 13.118 -6.462 1.00 0.00 C ATOM 269 O LYS A 16 3.416 12.611 -7.195 1.00 0.00 O ATOM 270 CB LYS A 16 1.020 14.822 -7.443 1.00 0.00 C ATOM 271 CG LYS A 16 0.032 14.867 -8.611 1.00 0.00 C ATOM 272 CD LYS A 16 0.762 14.523 -9.911 1.00 0.00 C ATOM 273 CE LYS A 16 -0.201 13.815 -10.867 1.00 0.00 C ATOM 274 NZ LYS A 16 0.659 12.907 -11.676 1.00 0.00 N ATOM 0 H LYS A 16 -0.168 14.151 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 16 0.952 12.660 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.672 15.464 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.990 15.205 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.781 14.162 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.416 15.858 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.149 15.431 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.619 13.883 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.961 13.256 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.726 14.530 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.070 12.386 -12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.368 13.467 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.140 12.233 -11.047 1.00 0.00 H new ATOM 288 N ASP A 17 2.865 13.421 -5.219 1.00 0.00 N ATOM 289 CA ASP A 17 4.222 13.148 -4.660 1.00 0.00 C ATOM 290 C ASP A 17 4.207 13.304 -3.137 1.00 0.00 C ATOM 291 O ASP A 17 4.383 12.350 -2.407 1.00 0.00 O ATOM 292 CB ASP A 17 5.132 14.199 -5.298 1.00 0.00 C ATOM 293 CG ASP A 17 6.577 13.961 -4.856 1.00 0.00 C ATOM 294 OD1 ASP A 17 6.963 12.808 -4.758 1.00 0.00 O ATOM 295 OD2 ASP A 17 7.273 14.935 -4.623 1.00 0.00 O ATOM 0 H ASP A 17 2.207 13.847 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 17 4.560 12.134 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.060 14.146 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.811 15.199 -5.005 1.00 0.00 H new ATOM 300 N SER A 18 3.957 14.499 -2.656 1.00 0.00 N ATOM 301 CA SER A 18 3.875 14.736 -1.177 1.00 0.00 C ATOM 302 C SER A 18 5.096 14.146 -0.453 1.00 0.00 C ATOM 303 O SER A 18 5.039 13.836 0.719 1.00 0.00 O ATOM 304 CB SER A 18 2.583 14.042 -0.730 1.00 0.00 C ATOM 305 OG SER A 18 2.826 12.657 -0.511 1.00 0.00 O ATOM 0 H SER A 18 3.805 15.329 -3.230 1.00 0.00 H new ATOM 0 HA SER A 18 3.868 15.799 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.210 14.503 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.811 14.169 -1.489 1.00 0.00 H new ATOM 0 HG SER A 18 3.171 12.251 -1.334 1.00 0.00 H new ATOM 311 N LYS A 19 6.211 14.033 -1.141 1.00 0.00 N ATOM 312 CA LYS A 19 7.475 13.509 -0.514 1.00 0.00 C ATOM 313 C LYS A 19 7.319 12.030 -0.132 1.00 0.00 C ATOM 314 O LYS A 19 7.941 11.166 -0.721 1.00 0.00 O ATOM 315 CB LYS A 19 7.736 14.370 0.734 1.00 0.00 C ATOM 316 CG LYS A 19 9.242 14.452 0.990 1.00 0.00 C ATOM 317 CD LYS A 19 9.847 15.562 0.128 1.00 0.00 C ATOM 318 CE LYS A 19 9.865 16.872 0.921 1.00 0.00 C ATOM 319 NZ LYS A 19 11.114 17.562 0.492 1.00 0.00 N ATOM 0 H LYS A 19 6.301 14.285 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 19 8.311 13.569 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.325 15.370 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.232 13.938 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.432 14.652 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.714 13.498 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.859 15.293 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.265 15.685 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.985 17.477 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.866 16.684 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.198 18.470 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.935 16.965 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.081 17.734 -0.533 1.00 0.00 H new ATOM 333 N SER A 20 6.476 11.731 0.825 1.00 0.00 N ATOM 334 CA SER A 20 6.257 10.304 1.219 1.00 0.00 C ATOM 335 C SER A 20 5.723 9.499 0.029 1.00 0.00 C ATOM 336 O SER A 20 5.645 9.995 -1.079 1.00 0.00 O ATOM 337 CB SER A 20 5.219 10.348 2.341 1.00 0.00 C ATOM 338 OG SER A 20 4.122 11.155 1.935 1.00 0.00 O ATOM 0 H SER A 20 5.930 12.413 1.351 1.00 0.00 H new ATOM 0 HA SER A 20 7.182 9.824 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.877 9.340 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.666 10.752 3.250 1.00 0.00 H new ATOM 0 HG SER A 20 3.454 11.184 2.652 1.00 0.00 H new ATOM 344 N THR A 21 5.323 8.275 0.263 1.00 0.00 N ATOM 345 CA THR A 21 4.753 7.443 -0.840 1.00 0.00 C ATOM 346 C THR A 21 3.641 6.536 -0.304 1.00 0.00 C ATOM 347 O THR A 21 3.854 5.742 0.594 1.00 0.00 O ATOM 348 CB THR A 21 5.930 6.610 -1.366 1.00 0.00 C ATOM 349 OG1 THR A 21 5.476 5.767 -2.415 1.00 0.00 O ATOM 350 CG2 THR A 21 6.515 5.752 -0.239 1.00 0.00 C ATOM 0 H THR A 21 5.367 7.815 1.172 1.00 0.00 H new ATOM 0 HA THR A 21 4.308 8.053 -1.626 1.00 0.00 H new ATOM 0 HB THR A 21 6.704 7.281 -1.739 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.226 5.235 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.349 5.165 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.866 6.398 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.746 5.081 0.144 1.00 0.00 H new ATOM 358 N TRP A 22 2.468 6.622 -0.878 1.00 0.00 N ATOM 359 CA TRP A 22 1.346 5.736 -0.444 1.00 0.00 C ATOM 360 C TRP A 22 1.213 4.545 -1.397 1.00 0.00 C ATOM 361 O TRP A 22 0.302 4.482 -2.203 1.00 0.00 O ATOM 362 CB TRP A 22 0.099 6.623 -0.509 1.00 0.00 C ATOM 363 CG TRP A 22 -0.115 7.308 0.807 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.856 7.871 1.567 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.366 7.514 1.527 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.280 8.405 2.705 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.087 8.212 2.725 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.701 7.167 1.256 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -2.098 8.552 3.625 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.721 7.509 2.160 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.419 8.199 3.342 1.00 0.00 C ATOM 0 H TRP A 22 2.238 7.270 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 22 1.503 5.324 0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.212 7.365 -1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.773 6.020 -0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.908 7.898 1.323 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.801 8.883 3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.944 6.635 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.860 9.084 4.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.744 7.239 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.207 8.457 4.033 1.00 0.00 H new ATOM 382 N VAL A 23 2.093 3.583 -1.284 1.00 0.00 N ATOM 383 CA VAL A 23 2.001 2.368 -2.152 1.00 0.00 C ATOM 384 C VAL A 23 0.977 1.388 -1.572 1.00 0.00 C ATOM 385 O VAL A 23 1.005 1.073 -0.397 1.00 0.00 O ATOM 386 CB VAL A 23 3.406 1.753 -2.135 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.432 0.503 -3.018 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.421 2.768 -2.672 1.00 0.00 C ATOM 0 H VAL A 23 2.873 3.586 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 23 1.678 2.607 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 23 3.664 1.484 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.431 0.068 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.714 -0.225 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.169 0.774 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.418 2.328 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.158 3.039 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.410 3.660 -2.046 1.00 0.00 H new ATOM 398 N ILE A 24 0.106 0.869 -2.399 1.00 0.00 N ATOM 399 CA ILE A 24 -0.889 -0.136 -1.915 1.00 0.00 C ATOM 400 C ILE A 24 -0.477 -1.538 -2.374 1.00 0.00 C ATOM 401 O ILE A 24 -0.095 -1.738 -3.512 1.00 0.00 O ATOM 402 CB ILE A 24 -2.219 0.277 -2.554 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.590 1.698 -2.103 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.322 -0.695 -2.122 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.213 2.460 -3.274 1.00 0.00 C ATOM 0 H ILE A 24 0.041 1.098 -3.391 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.959 -0.164 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.117 0.254 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.291 1.655 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.703 2.221 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.267 -0.399 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.064 -1.704 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.421 -0.674 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.476 3.468 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.497 2.515 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.110 1.940 -3.610 1.00 0.00 H new ATOM 417 N LEU A 25 -0.597 -2.513 -1.509 1.00 0.00 N ATOM 418 CA LEU A 25 -0.261 -3.915 -1.904 1.00 0.00 C ATOM 419 C LEU A 25 -1.515 -4.622 -2.439 1.00 0.00 C ATOM 420 O LEU A 25 -1.717 -4.716 -3.635 1.00 0.00 O ATOM 421 CB LEU A 25 0.238 -4.583 -0.614 1.00 0.00 C ATOM 422 CG LEU A 25 1.754 -4.387 -0.455 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.489 -5.043 -1.626 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.087 -2.892 -0.417 1.00 0.00 C ATOM 0 H LEU A 25 -0.913 -2.399 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 25 0.488 -3.960 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.281 -4.159 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.004 -5.647 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 25 2.073 -4.851 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.563 -4.900 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.264 -6.109 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.164 -4.587 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.163 -2.762 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.760 -2.423 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.575 -2.426 0.425 1.00 0.00 H new ATOM 436 N HIS A 26 -2.392 -5.044 -1.562 1.00 0.00 N ATOM 437 CA HIS A 26 -3.676 -5.660 -2.016 1.00 0.00 C ATOM 438 C HIS A 26 -4.862 -4.985 -1.314 1.00 0.00 C ATOM 439 O HIS A 26 -5.856 -4.660 -1.934 1.00 0.00 O ATOM 440 CB HIS A 26 -3.579 -7.145 -1.637 1.00 0.00 C ATOM 441 CG HIS A 26 -3.381 -7.294 -0.150 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.397 -7.722 0.691 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.293 -7.076 0.658 1.00 0.00 C ATOM 444 CE1 HIS A 26 -3.904 -7.747 1.942 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.625 -7.364 1.979 1.00 0.00 N ATOM 0 H HIS A 26 -2.274 -4.988 -0.550 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.835 -5.538 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.486 -7.666 -1.944 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.749 -7.610 -2.170 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.326 -6.733 0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.473 -8.041 2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.021 -7.297 2.799 1.00 0.00 H new ATOM 453 N HIS A 27 -4.731 -4.712 -0.039 1.00 0.00 N ATOM 454 CA HIS A 27 -5.809 -3.986 0.695 1.00 0.00 C ATOM 455 C HIS A 27 -5.208 -3.159 1.841 1.00 0.00 C ATOM 456 O HIS A 27 -5.895 -2.797 2.778 1.00 0.00 O ATOM 457 CB HIS A 27 -6.717 -5.088 1.246 1.00 0.00 C ATOM 458 CG HIS A 27 -7.900 -4.472 1.941 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.677 -5.180 2.843 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.454 -3.217 1.874 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.645 -4.355 3.281 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.555 -3.145 2.721 1.00 0.00 N ATOM 0 H HIS A 27 -3.919 -4.963 0.526 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.351 -3.290 0.055 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.055 -5.733 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.161 -5.716 1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.090 -2.409 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.402 -4.636 3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.163 -2.342 2.880 1.00 0.00 H new ATOM 470 N LYS A 28 -3.939 -2.833 1.757 1.00 0.00 N ATOM 471 CA LYS A 28 -3.299 -2.005 2.822 1.00 0.00 C ATOM 472 C LYS A 28 -2.616 -0.781 2.205 1.00 0.00 C ATOM 473 O LYS A 28 -2.027 -0.862 1.141 1.00 0.00 O ATOM 474 CB LYS A 28 -2.260 -2.925 3.465 1.00 0.00 C ATOM 475 CG LYS A 28 -2.850 -3.567 4.723 1.00 0.00 C ATOM 476 CD LYS A 28 -3.769 -4.724 4.325 1.00 0.00 C ATOM 477 CE LYS A 28 -3.988 -5.640 5.531 1.00 0.00 C ATOM 478 NZ LYS A 28 -4.362 -6.959 4.947 1.00 0.00 N ATOM 0 H LYS A 28 -3.320 -3.107 0.994 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.024 -1.634 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.957 -3.698 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.365 -2.357 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.050 -3.930 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.408 -2.826 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.724 -4.338 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.327 -5.287 3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.085 -5.718 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.776 -5.257 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.771 -7.563 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.061 -6.818 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.515 -7.418 4.555 1.00 0.00 H new ATOM 492 N VAL A 29 -2.647 0.335 2.889 1.00 0.00 N ATOM 493 CA VAL A 29 -1.952 1.554 2.376 1.00 0.00 C ATOM 494 C VAL A 29 -0.610 1.720 3.091 1.00 0.00 C ATOM 495 O VAL A 29 -0.556 1.840 4.301 1.00 0.00 O ATOM 496 CB VAL A 29 -2.889 2.722 2.708 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.292 4.022 2.165 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.261 2.486 2.065 1.00 0.00 C ATOM 0 H VAL A 29 -3.125 0.454 3.782 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.745 1.498 1.307 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.005 2.794 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.956 4.854 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.318 4.195 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.175 3.945 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.923 3.318 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.148 2.411 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.689 1.560 2.450 1.00 0.00 H new ATOM 508 N TYR A 30 0.473 1.704 2.356 1.00 0.00 N ATOM 509 CA TYR A 30 1.817 1.833 2.995 1.00 0.00 C ATOM 510 C TYR A 30 2.353 3.261 2.861 1.00 0.00 C ATOM 511 O TYR A 30 2.513 3.768 1.768 1.00 0.00 O ATOM 512 CB TYR A 30 2.722 0.869 2.226 1.00 0.00 C ATOM 513 CG TYR A 30 2.356 -0.557 2.552 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.144 -1.089 2.103 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.236 -1.348 3.301 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.807 -2.414 2.405 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.901 -2.672 3.601 1.00 0.00 C ATOM 518 CZ TYR A 30 1.686 -3.206 3.153 1.00 0.00 C ATOM 519 OH TYR A 30 1.355 -4.513 3.450 1.00 0.00 O ATOM 0 H TYR A 30 0.484 1.607 1.341 1.00 0.00 H new ATOM 0 HA TYR A 30 1.773 1.607 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.623 1.042 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.765 1.053 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.468 -0.478 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.173 -0.936 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.131 -2.825 2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.579 -3.283 4.178 1.00 0.00 H new ATOM 0 HH TYR A 30 2.030 -5.115 3.073 1.00 0.00 H new ATOM 529 N ASP A 31 2.800 3.829 3.951 1.00 0.00 N ATOM 530 CA ASP A 31 3.530 5.129 3.877 1.00 0.00 C ATOM 531 C ASP A 31 5.025 4.855 4.033 1.00 0.00 C ATOM 532 O ASP A 31 5.572 4.941 5.116 1.00 0.00 O ATOM 533 CB ASP A 31 3.003 5.960 5.048 1.00 0.00 C ATOM 534 CG ASP A 31 3.677 7.333 5.045 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.716 7.949 3.993 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.142 7.745 6.095 1.00 0.00 O ATOM 0 H ASP A 31 2.691 3.448 4.891 1.00 0.00 H new ATOM 0 HA ASP A 31 3.381 5.651 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.922 6.074 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.202 5.448 5.989 1.00 0.00 H new ATOM 541 N LEU A 32 5.658 4.412 2.978 1.00 0.00 N ATOM 542 CA LEU A 32 7.092 3.992 3.074 1.00 0.00 C ATOM 543 C LEU A 32 8.019 5.177 2.780 1.00 0.00 C ATOM 544 O LEU A 32 9.000 5.043 2.073 1.00 0.00 O ATOM 545 CB LEU A 32 7.281 2.887 2.013 1.00 0.00 C ATOM 546 CG LEU A 32 6.099 1.894 2.040 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.214 2.117 0.810 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.621 0.451 2.039 1.00 0.00 C ATOM 0 H LEU A 32 5.244 4.322 2.050 1.00 0.00 H new ATOM 0 HA LEU A 32 7.336 3.634 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.362 3.337 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.214 2.354 2.198 1.00 0.00 H new ATOM 0 HG LEU A 32 5.517 2.061 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.380 1.416 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.830 3.137 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.801 1.957 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.779 -0.241 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.212 0.278 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.244 0.289 2.919 1.00 0.00 H new ATOM 560 N THR A 33 7.747 6.318 3.364 1.00 0.00 N ATOM 561 CA THR A 33 8.649 7.496 3.171 1.00 0.00 C ATOM 562 C THR A 33 9.994 7.260 3.870 1.00 0.00 C ATOM 563 O THR A 33 11.009 7.797 3.469 1.00 0.00 O ATOM 564 CB THR A 33 7.908 8.686 3.796 1.00 0.00 C ATOM 565 OG1 THR A 33 8.709 9.852 3.673 1.00 0.00 O ATOM 566 CG2 THR A 33 7.624 8.418 5.278 1.00 0.00 C ATOM 0 H THR A 33 6.940 6.485 3.965 1.00 0.00 H new ATOM 0 HA THR A 33 8.871 7.672 2.118 1.00 0.00 H new ATOM 0 HB THR A 33 6.961 8.828 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.239 10.615 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.098 9.271 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.007 7.525 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.565 8.268 5.807 1.00 0.00 H new ATOM 574 N LYS A 34 10.016 6.418 4.874 1.00 0.00 N ATOM 575 CA LYS A 34 11.303 6.096 5.558 1.00 0.00 C ATOM 576 C LYS A 34 12.068 5.031 4.767 1.00 0.00 C ATOM 577 O LYS A 34 13.284 4.998 4.771 1.00 0.00 O ATOM 578 CB LYS A 34 10.900 5.558 6.932 1.00 0.00 C ATOM 579 CG LYS A 34 11.893 6.048 7.986 1.00 0.00 C ATOM 580 CD LYS A 34 11.171 6.234 9.322 1.00 0.00 C ATOM 581 CE LYS A 34 12.180 6.654 10.394 1.00 0.00 C ATOM 582 NZ LYS A 34 12.757 5.376 10.899 1.00 0.00 N ATOM 0 H LYS A 34 9.196 5.940 5.248 1.00 0.00 H new ATOM 0 HA LYS A 34 11.957 6.964 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.893 5.892 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.880 4.468 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.705 5.330 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.341 6.990 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.392 6.990 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.679 5.306 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.953 7.299 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.696 7.213 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.746 5.530 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.208 5.047 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.721 4.658 10.148 1.00 0.00 H new ATOM 596 N PHE A 35 11.363 4.196 4.044 1.00 0.00 N ATOM 597 CA PHE A 35 12.043 3.170 3.196 1.00 0.00 C ATOM 598 C PHE A 35 12.610 3.829 1.935 1.00 0.00 C ATOM 599 O PHE A 35 13.622 3.408 1.407 1.00 0.00 O ATOM 600 CB PHE A 35 10.946 2.163 2.837 1.00 0.00 C ATOM 601 CG PHE A 35 11.528 1.052 1.993 1.00 0.00 C ATOM 602 CD1 PHE A 35 11.770 1.264 0.631 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.824 -0.188 2.572 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.309 0.238 -0.154 1.00 0.00 C ATOM 605 CE2 PHE A 35 12.363 -1.216 1.788 1.00 0.00 C ATOM 606 CZ PHE A 35 12.605 -1.003 0.425 1.00 0.00 C ATOM 0 H PHE A 35 10.344 4.181 4.005 1.00 0.00 H new ATOM 0 HA PHE A 35 12.878 2.691 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.507 1.750 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.144 2.663 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.541 2.220 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.637 -0.352 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.496 0.403 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.592 -2.172 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.020 -1.796 -0.180 1.00 0.00 H new ATOM 616 N LEU A 36 11.982 4.880 1.473 1.00 0.00 N ATOM 617 CA LEU A 36 12.501 5.600 0.268 1.00 0.00 C ATOM 618 C LEU A 36 13.904 6.148 0.544 1.00 0.00 C ATOM 619 O LEU A 36 14.730 6.233 -0.344 1.00 0.00 O ATOM 620 CB LEU A 36 11.516 6.748 0.029 1.00 0.00 C ATOM 621 CG LEU A 36 11.533 7.136 -1.450 1.00 0.00 C ATOM 622 CD1 LEU A 36 10.448 8.181 -1.715 1.00 0.00 C ATOM 623 CD2 LEU A 36 12.902 7.723 -1.808 1.00 0.00 C ATOM 0 H LEU A 36 11.132 5.272 1.878 1.00 0.00 H new ATOM 0 HA LEU A 36 12.578 4.945 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.511 6.447 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.786 7.606 0.644 1.00 0.00 H new ATOM 0 HG LEU A 36 11.345 6.252 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.459 8.458 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.473 7.766 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.637 9.065 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.915 8.000 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.090 8.607 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.677 6.980 -1.618 1.00 0.00 H new ATOM 635 N GLU A 37 14.185 6.489 1.776 1.00 0.00 N ATOM 636 CA GLU A 37 15.546 6.995 2.128 1.00 0.00 C ATOM 637 C GLU A 37 16.285 5.985 3.013 1.00 0.00 C ATOM 638 O GLU A 37 17.195 6.336 3.741 1.00 0.00 O ATOM 639 CB GLU A 37 15.303 8.305 2.884 1.00 0.00 C ATOM 640 CG GLU A 37 14.448 8.043 4.129 1.00 0.00 C ATOM 641 CD GLU A 37 14.495 9.265 5.048 1.00 0.00 C ATOM 642 OE1 GLU A 37 15.523 9.473 5.671 1.00 0.00 O ATOM 643 OE2 GLU A 37 13.503 9.973 5.112 1.00 0.00 O ATOM 0 H GLU A 37 13.529 6.439 2.555 1.00 0.00 H new ATOM 0 HA GLU A 37 16.167 7.146 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.255 8.749 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.802 9.022 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.419 7.833 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.816 7.163 4.657 1.00 0.00 H new ATOM 650 N GLU A 38 15.929 4.729 2.919 1.00 0.00 N ATOM 651 CA GLU A 38 16.639 3.682 3.713 1.00 0.00 C ATOM 652 C GLU A 38 17.583 2.886 2.809 1.00 0.00 C ATOM 653 O GLU A 38 18.708 2.598 3.173 1.00 0.00 O ATOM 654 CB GLU A 38 15.532 2.780 4.260 1.00 0.00 C ATOM 655 CG GLU A 38 16.144 1.708 5.163 1.00 0.00 C ATOM 656 CD GLU A 38 15.030 0.943 5.878 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.441 0.074 5.256 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.783 1.239 7.035 1.00 0.00 O ATOM 0 H GLU A 38 15.175 4.383 2.325 1.00 0.00 H new ATOM 0 HA GLU A 38 17.247 4.109 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.809 3.373 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.991 2.312 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.749 1.021 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.809 2.169 5.893 1.00 0.00 H new ATOM 665 N HIS A 39 17.146 2.568 1.617 1.00 0.00 N ATOM 666 CA HIS A 39 18.027 1.834 0.660 1.00 0.00 C ATOM 667 C HIS A 39 18.220 2.659 -0.622 1.00 0.00 C ATOM 668 O HIS A 39 17.547 2.425 -1.607 1.00 0.00 O ATOM 669 CB HIS A 39 17.284 0.531 0.356 1.00 0.00 C ATOM 670 CG HIS A 39 17.157 -0.281 1.616 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.011 -0.997 1.922 1.00 0.00 N ATOM 672 CD2 HIS A 39 18.025 -0.501 2.658 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.217 -1.608 3.102 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.428 -1.339 3.595 1.00 0.00 N ATOM 0 H HIS A 39 16.214 2.786 1.265 1.00 0.00 H new ATOM 0 HA HIS A 39 19.020 1.649 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.296 0.750 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.821 -0.038 -0.403 1.00 0.00 H new ATOM 0 HD1 HIS A 39 15.165 -1.051 1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.019 -0.087 2.738 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.491 -2.240 3.592 1.00 0.00 H new ATOM 682 N PRO A 40 19.136 3.609 -0.577 1.00 0.00 N ATOM 683 CA PRO A 40 19.403 4.469 -1.766 1.00 0.00 C ATOM 684 C PRO A 40 19.681 3.614 -3.011 1.00 0.00 C ATOM 685 O PRO A 40 20.811 3.262 -3.292 1.00 0.00 O ATOM 686 CB PRO A 40 20.650 5.256 -1.369 1.00 0.00 C ATOM 687 CG PRO A 40 20.637 5.267 0.125 1.00 0.00 C ATOM 688 CD PRO A 40 19.999 3.976 0.560 1.00 0.00 C ATOM 0 HA PRO A 40 18.557 5.108 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 40 21.554 4.784 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 40 20.623 6.268 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 40 21.649 5.351 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.076 6.122 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 40 20.746 3.208 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.421 4.104 1.476 1.00 0.00 H new ATOM 696 N GLY A 41 18.660 3.317 -3.775 1.00 0.00 N ATOM 697 CA GLY A 41 18.857 2.526 -5.025 1.00 0.00 C ATOM 698 C GLY A 41 17.497 2.222 -5.654 1.00 0.00 C ATOM 699 O GLY A 41 17.267 1.141 -6.163 1.00 0.00 O ATOM 0 H GLY A 41 17.696 3.590 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.478 3.083 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.382 1.597 -4.802 1.00 0.00 H new ATOM 703 N GLY A 42 16.606 3.180 -5.650 1.00 0.00 N ATOM 704 CA GLY A 42 15.268 2.971 -6.277 1.00 0.00 C ATOM 705 C GLY A 42 14.182 3.531 -5.357 1.00 0.00 C ATOM 706 O GLY A 42 14.083 3.157 -4.202 1.00 0.00 O ATOM 0 H GLY A 42 16.749 4.102 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.228 3.465 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.099 1.909 -6.453 1.00 0.00 H new ATOM 710 N GLU A 43 13.347 4.399 -5.869 1.00 0.00 N ATOM 711 CA GLU A 43 12.239 4.960 -5.040 1.00 0.00 C ATOM 712 C GLU A 43 10.953 4.160 -5.262 1.00 0.00 C ATOM 713 O GLU A 43 10.132 4.031 -4.373 1.00 0.00 O ATOM 714 CB GLU A 43 12.068 6.399 -5.530 1.00 0.00 C ATOM 715 CG GLU A 43 13.355 7.185 -5.269 1.00 0.00 C ATOM 716 CD GLU A 43 13.548 8.229 -6.369 1.00 0.00 C ATOM 717 OE1 GLU A 43 13.445 7.866 -7.529 1.00 0.00 O ATOM 718 OE2 GLU A 43 13.795 9.375 -6.033 1.00 0.00 O ATOM 0 H GLU A 43 13.385 4.744 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 43 12.458 4.916 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.835 6.406 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.230 6.872 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.305 7.672 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.208 6.507 -5.243 1.00 0.00 H new ATOM 725 N GLU A 44 10.795 3.589 -6.429 1.00 0.00 N ATOM 726 CA GLU A 44 9.585 2.755 -6.703 1.00 0.00 C ATOM 727 C GLU A 44 9.923 1.266 -6.568 1.00 0.00 C ATOM 728 O GLU A 44 9.652 0.479 -7.455 1.00 0.00 O ATOM 729 CB GLU A 44 9.173 3.093 -8.142 1.00 0.00 C ATOM 730 CG GLU A 44 10.321 2.776 -9.112 1.00 0.00 C ATOM 731 CD GLU A 44 11.015 4.073 -9.537 1.00 0.00 C ATOM 732 OE1 GLU A 44 11.282 4.890 -8.671 1.00 0.00 O ATOM 733 OE2 GLU A 44 11.267 4.227 -10.721 1.00 0.00 O ATOM 0 H GLU A 44 11.452 3.664 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 44 8.779 2.959 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.286 2.522 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.908 4.148 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.039 2.109 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.935 2.255 -9.988 1.00 0.00 H new ATOM 740 N VAL A 45 10.472 0.872 -5.447 1.00 0.00 N ATOM 741 CA VAL A 45 10.784 -0.573 -5.226 1.00 0.00 C ATOM 742 C VAL A 45 9.983 -1.120 -4.038 1.00 0.00 C ATOM 743 O VAL A 45 10.367 -2.096 -3.421 1.00 0.00 O ATOM 744 CB VAL A 45 12.288 -0.624 -4.932 1.00 0.00 C ATOM 745 CG1 VAL A 45 13.062 -0.118 -6.150 1.00 0.00 C ATOM 746 CG2 VAL A 45 12.619 0.256 -3.719 1.00 0.00 C ATOM 0 H VAL A 45 10.718 1.490 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 45 10.520 -1.182 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 45 12.573 -1.654 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.131 -0.154 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.838 -0.748 -7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.769 0.909 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.690 0.212 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.330 1.286 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.072 -0.105 -2.848 1.00 0.00 H new ATOM 756 N LEU A 46 8.865 -0.511 -3.727 1.00 0.00 N ATOM 757 CA LEU A 46 8.028 -1.007 -2.596 1.00 0.00 C ATOM 758 C LEU A 46 7.084 -2.107 -3.090 1.00 0.00 C ATOM 759 O LEU A 46 6.742 -3.017 -2.359 1.00 0.00 O ATOM 760 CB LEU A 46 7.225 0.214 -2.117 1.00 0.00 C ATOM 761 CG LEU A 46 8.098 1.159 -1.266 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.730 0.400 -0.093 1.00 0.00 C ATOM 763 CD2 LEU A 46 9.202 1.772 -2.133 1.00 0.00 C ATOM 0 H LEU A 46 8.497 0.309 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 46 8.630 -1.433 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.833 0.755 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.368 -0.118 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 46 7.463 1.952 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.342 1.084 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.944 -0.017 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.354 -0.407 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.814 2.438 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.826 0.978 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.752 2.337 -2.949 1.00 0.00 H new ATOM 775 N ARG A 47 6.697 -2.050 -4.341 1.00 0.00 N ATOM 776 CA ARG A 47 5.817 -3.115 -4.908 1.00 0.00 C ATOM 777 C ARG A 47 6.042 -3.239 -6.418 1.00 0.00 C ATOM 778 O ARG A 47 6.535 -4.242 -6.900 1.00 0.00 O ATOM 779 CB ARG A 47 4.391 -2.648 -4.614 1.00 0.00 C ATOM 780 CG ARG A 47 3.398 -3.714 -5.084 1.00 0.00 C ATOM 781 CD ARG A 47 1.996 -3.107 -5.167 1.00 0.00 C ATOM 782 NE ARG A 47 1.264 -3.960 -6.153 1.00 0.00 N ATOM 783 CZ ARG A 47 0.852 -5.172 -5.839 1.00 0.00 C ATOM 784 NH1 ARG A 47 1.025 -5.669 -4.635 1.00 0.00 N ATOM 785 NH2 ARG A 47 0.256 -5.897 -6.747 1.00 0.00 N ATOM 0 H ARG A 47 6.954 -1.310 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 47 6.022 -4.094 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.269 -2.468 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.194 -1.704 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.697 -4.099 -6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.400 -4.557 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.504 -3.116 -4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.034 -2.068 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 47 1.080 -3.596 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.488 -5.114 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.696 -6.610 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.114 -5.524 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.068 -6.837 -6.518 1.00 0.00 H new ATOM 799 N GLU A 48 5.719 -2.210 -7.161 1.00 0.00 N ATOM 800 CA GLU A 48 5.948 -2.241 -8.637 1.00 0.00 C ATOM 801 C GLU A 48 5.771 -0.840 -9.230 1.00 0.00 C ATOM 802 O GLU A 48 5.271 0.058 -8.579 1.00 0.00 O ATOM 803 CB GLU A 48 4.883 -3.194 -9.183 1.00 0.00 C ATOM 804 CG GLU A 48 5.173 -3.494 -10.655 1.00 0.00 C ATOM 805 CD GLU A 48 4.569 -4.849 -11.029 1.00 0.00 C ATOM 806 OE1 GLU A 48 3.383 -5.026 -10.809 1.00 0.00 O ATOM 807 OE2 GLU A 48 5.303 -5.685 -11.528 1.00 0.00 O ATOM 0 H GLU A 48 5.305 -1.347 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 48 6.956 -2.568 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.878 -4.119 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.894 -2.748 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.754 -2.710 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.249 -3.503 -10.830 1.00 0.00 H new ATOM 814 N GLN A 49 6.143 -0.663 -10.472 1.00 0.00 N ATOM 815 CA GLN A 49 5.960 0.665 -11.131 1.00 0.00 C ATOM 816 C GLN A 49 6.070 0.521 -12.652 1.00 0.00 C ATOM 817 O GLN A 49 6.807 1.239 -13.301 1.00 0.00 O ATOM 818 CB GLN A 49 7.096 1.535 -10.591 1.00 0.00 C ATOM 819 CG GLN A 49 6.647 2.997 -10.555 1.00 0.00 C ATOM 820 CD GLN A 49 6.005 3.301 -9.199 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.174 2.551 -8.727 1.00 0.00 O ATOM 822 NE2 GLN A 49 6.357 4.376 -8.551 1.00 0.00 N ATOM 0 H GLN A 49 6.566 -1.382 -11.059 1.00 0.00 H new ATOM 0 HA GLN A 49 4.981 1.098 -10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.377 1.205 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.979 1.430 -11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.500 3.655 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.935 3.190 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.055 5.005 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.935 4.588 -7.647 1.00 0.00 H new ATOM 831 N ALA A 50 5.307 -0.376 -13.227 1.00 0.00 N ATOM 832 CA ALA A 50 5.326 -0.543 -14.710 1.00 0.00 C ATOM 833 C ALA A 50 4.138 -1.398 -15.161 1.00 0.00 C ATOM 834 O ALA A 50 3.242 -0.923 -15.835 1.00 0.00 O ATOM 835 CB ALA A 50 6.644 -1.256 -15.013 1.00 0.00 C ATOM 0 H ALA A 50 4.671 -1.000 -12.730 1.00 0.00 H new ATOM 0 HA ALA A 50 5.249 0.410 -15.233 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.733 -1.416 -16.088 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.477 -0.644 -14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.664 -2.218 -14.500 1.00 0.00 H new ATOM 841 N GLY A 51 4.106 -2.644 -14.759 1.00 0.00 N ATOM 842 CA GLY A 51 2.958 -3.525 -15.123 1.00 0.00 C ATOM 843 C GLY A 51 3.050 -4.834 -14.337 1.00 0.00 C ATOM 844 O GLY A 51 4.111 -5.418 -14.210 1.00 0.00 O ATOM 0 H GLY A 51 4.828 -3.089 -14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.016 -3.022 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.968 -3.730 -16.194 1.00 0.00 H new ATOM 848 N GLY A 52 1.940 -5.318 -13.843 1.00 0.00 N ATOM 849 CA GLY A 52 1.944 -6.614 -13.102 1.00 0.00 C ATOM 850 C GLY A 52 1.102 -6.479 -11.832 1.00 0.00 C ATOM 851 O GLY A 52 0.941 -5.399 -11.297 1.00 0.00 O ATOM 0 H GLY A 52 1.027 -4.869 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.544 -7.407 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.965 -6.895 -12.846 1.00 0.00 H new ATOM 855 N ASP A 53 0.598 -7.577 -11.327 1.00 0.00 N ATOM 856 CA ASP A 53 -0.200 -7.530 -10.064 1.00 0.00 C ATOM 857 C ASP A 53 -0.427 -8.948 -9.527 1.00 0.00 C ATOM 858 O ASP A 53 0.202 -9.893 -9.960 1.00 0.00 O ATOM 859 CB ASP A 53 -1.531 -6.874 -10.451 1.00 0.00 C ATOM 860 CG ASP A 53 -2.221 -7.691 -11.549 1.00 0.00 C ATOM 861 OD1 ASP A 53 -1.661 -7.788 -12.629 1.00 0.00 O ATOM 862 OD2 ASP A 53 -3.296 -8.205 -11.290 1.00 0.00 O ATOM 0 H ASP A 53 0.705 -8.505 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 53 0.308 -6.973 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.179 -6.805 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.356 -5.856 -10.800 1.00 0.00 H new ATOM 867 N ALA A 54 -1.355 -9.105 -8.611 1.00 0.00 N ATOM 868 CA ALA A 54 -1.672 -10.466 -8.063 1.00 0.00 C ATOM 869 C ALA A 54 -0.400 -11.159 -7.556 1.00 0.00 C ATOM 870 O ALA A 54 -0.065 -12.246 -7.984 1.00 0.00 O ATOM 871 CB ALA A 54 -2.283 -11.244 -9.234 1.00 0.00 C ATOM 0 H ALA A 54 -1.910 -8.345 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.354 -10.410 -7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.540 -12.251 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.182 -10.734 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.562 -11.301 -10.049 1.00 0.00 H new ATOM 877 N THR A 55 0.286 -10.542 -6.618 1.00 0.00 N ATOM 878 CA THR A 55 1.526 -11.149 -6.017 1.00 0.00 C ATOM 879 C THR A 55 2.444 -11.751 -7.092 1.00 0.00 C ATOM 880 O THR A 55 2.288 -12.892 -7.484 1.00 0.00 O ATOM 881 CB THR A 55 1.031 -12.237 -5.056 1.00 0.00 C ATOM 882 OG1 THR A 55 0.320 -13.233 -5.777 1.00 0.00 O ATOM 883 CG2 THR A 55 0.113 -11.616 -4.001 1.00 0.00 C ATOM 0 H THR A 55 0.036 -9.629 -6.237 1.00 0.00 H new ATOM 0 HA THR A 55 2.121 -10.392 -5.505 1.00 0.00 H new ATOM 0 HB THR A 55 1.890 -12.694 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.566 -13.189 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.236 -12.392 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.663 -10.861 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.743 -11.151 -4.491 1.00 0.00 H new ATOM 891 N GLU A 56 3.420 -11.001 -7.539 1.00 0.00 N ATOM 892 CA GLU A 56 4.378 -11.533 -8.553 1.00 0.00 C ATOM 893 C GLU A 56 5.818 -11.239 -8.125 1.00 0.00 C ATOM 894 O GLU A 56 6.621 -12.139 -7.961 1.00 0.00 O ATOM 895 CB GLU A 56 4.040 -10.789 -9.846 1.00 0.00 C ATOM 896 CG GLU A 56 4.908 -11.326 -10.985 1.00 0.00 C ATOM 897 CD GLU A 56 5.201 -10.200 -11.979 1.00 0.00 C ATOM 898 OE1 GLU A 56 4.273 -9.764 -12.639 1.00 0.00 O ATOM 899 OE2 GLU A 56 6.349 -9.795 -12.062 1.00 0.00 O ATOM 0 H GLU A 56 3.594 -10.040 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 56 4.296 -12.613 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.985 -10.918 -10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.210 -9.720 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.841 -11.726 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.398 -12.147 -11.489 1.00 0.00 H new ATOM 906 N ASN A 57 6.139 -9.988 -7.912 1.00 0.00 N ATOM 907 CA ASN A 57 7.516 -9.629 -7.454 1.00 0.00 C ATOM 908 C ASN A 57 7.488 -9.172 -5.991 1.00 0.00 C ATOM 909 O ASN A 57 8.446 -9.339 -5.262 1.00 0.00 O ATOM 910 CB ASN A 57 7.961 -8.484 -8.373 1.00 0.00 C ATOM 911 CG ASN A 57 6.983 -7.309 -8.262 1.00 0.00 C ATOM 912 OD1 ASN A 57 6.875 -6.691 -7.222 1.00 0.00 O ATOM 913 ND2 ASN A 57 6.262 -6.975 -9.297 1.00 0.00 N ATOM 0 H ASN A 57 5.506 -9.198 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 57 8.200 -10.476 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.965 -8.158 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.007 -8.832 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.608 -6.195 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.353 -7.494 -10.170 1.00 0.00 H new ATOM 920 N PHE A 58 6.379 -8.627 -5.548 1.00 0.00 N ATOM 921 CA PHE A 58 6.253 -8.189 -4.117 1.00 0.00 C ATOM 922 C PHE A 58 7.409 -7.258 -3.732 1.00 0.00 C ATOM 923 O PHE A 58 8.267 -6.953 -4.539 1.00 0.00 O ATOM 924 CB PHE A 58 6.301 -9.479 -3.290 1.00 0.00 C ATOM 925 CG PHE A 58 5.352 -9.369 -2.121 1.00 0.00 C ATOM 926 CD1 PHE A 58 4.002 -9.069 -2.340 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.823 -9.568 -0.817 1.00 0.00 C ATOM 928 CE1 PHE A 58 3.122 -8.968 -1.255 1.00 0.00 C ATOM 929 CE2 PHE A 58 4.943 -9.467 0.268 1.00 0.00 C ATOM 930 CZ PHE A 58 3.593 -9.167 0.048 1.00 0.00 C ATOM 0 H PHE A 58 5.549 -8.465 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 58 5.332 -7.632 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.030 -10.332 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.315 -9.656 -2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.639 -8.915 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.864 -9.799 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.081 -8.737 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.305 -9.620 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.914 -9.089 0.885 1.00 0.00 H new ATOM 940 N GLU A 59 7.454 -6.833 -2.493 1.00 0.00 N ATOM 941 CA GLU A 59 8.574 -5.950 -2.038 1.00 0.00 C ATOM 942 C GLU A 59 9.921 -6.663 -2.214 1.00 0.00 C ATOM 943 O GLU A 59 10.010 -7.681 -2.872 1.00 0.00 O ATOM 944 CB GLU A 59 8.296 -5.670 -0.554 1.00 0.00 C ATOM 945 CG GLU A 59 8.262 -6.985 0.234 1.00 0.00 C ATOM 946 CD GLU A 59 7.269 -6.860 1.392 1.00 0.00 C ATOM 947 OE1 GLU A 59 7.164 -5.777 1.943 1.00 0.00 O ATOM 948 OE2 GLU A 59 6.631 -7.851 1.707 1.00 0.00 O ATOM 0 H GLU A 59 6.764 -7.059 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 59 8.628 -5.028 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.067 -5.014 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.345 -5.148 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.972 -7.807 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.256 -7.218 0.616 1.00 0.00 H new ATOM 955 N ASP A 60 10.957 -6.164 -1.580 1.00 0.00 N ATOM 956 CA ASP A 60 12.297 -6.834 -1.645 1.00 0.00 C ATOM 957 C ASP A 60 12.690 -7.132 -3.101 1.00 0.00 C ATOM 958 O ASP A 60 12.488 -8.225 -3.595 1.00 0.00 O ATOM 959 CB ASP A 60 12.121 -8.128 -0.846 1.00 0.00 C ATOM 960 CG ASP A 60 13.422 -8.938 -0.860 1.00 0.00 C ATOM 961 OD1 ASP A 60 14.476 -8.325 -0.860 1.00 0.00 O ATOM 962 OD2 ASP A 60 13.340 -10.155 -0.872 1.00 0.00 O ATOM 0 H ASP A 60 10.931 -5.315 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 60 13.093 -6.208 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.840 -7.895 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.311 -8.720 -1.272 1.00 0.00 H new ATOM 967 N VAL A 61 13.282 -6.175 -3.770 1.00 0.00 N ATOM 968 CA VAL A 61 13.733 -6.404 -5.176 1.00 0.00 C ATOM 969 C VAL A 61 15.115 -5.777 -5.398 1.00 0.00 C ATOM 970 O VAL A 61 15.376 -4.667 -4.974 1.00 0.00 O ATOM 971 CB VAL A 61 12.670 -5.725 -6.050 1.00 0.00 C ATOM 972 CG1 VAL A 61 12.596 -4.230 -5.722 1.00 0.00 C ATOM 973 CG2 VAL A 61 13.029 -5.903 -7.528 1.00 0.00 C ATOM 0 H VAL A 61 13.473 -5.243 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 61 13.832 -7.463 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 61 11.702 -6.184 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.839 -3.757 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.332 -4.100 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.564 -3.767 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.273 -5.420 -8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.001 -5.450 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.069 -6.966 -7.767 1.00 0.00 H new ATOM 983 N GLY A 62 15.985 -6.468 -6.091 1.00 0.00 N ATOM 984 CA GLY A 62 17.335 -5.905 -6.383 1.00 0.00 C ATOM 985 C GLY A 62 18.331 -6.390 -5.328 1.00 0.00 C ATOM 986 O GLY A 62 19.407 -6.860 -5.649 1.00 0.00 O ATOM 0 H GLY A 62 15.816 -7.401 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.662 -6.214 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 62 17.293 -4.816 -6.385 1.00 0.00 H new ATOM 990 N HIS A 63 17.961 -6.318 -4.075 1.00 0.00 N ATOM 991 CA HIS A 63 18.863 -6.816 -2.991 1.00 0.00 C ATOM 992 C HIS A 63 18.244 -8.040 -2.306 1.00 0.00 C ATOM 993 O HIS A 63 17.038 -8.146 -2.179 1.00 0.00 O ATOM 994 CB HIS A 63 18.998 -5.646 -2.005 1.00 0.00 C ATOM 995 CG HIS A 63 17.641 -5.246 -1.482 1.00 0.00 C ATOM 996 ND1 HIS A 63 16.827 -4.346 -2.152 1.00 0.00 N ATOM 997 CD2 HIS A 63 16.945 -5.616 -0.358 1.00 0.00 C ATOM 998 CE1 HIS A 63 15.700 -4.205 -1.432 1.00 0.00 C ATOM 999 NE2 HIS A 63 15.719 -4.957 -0.328 1.00 0.00 N ATOM 0 H HIS A 63 17.072 -5.935 -3.754 1.00 0.00 H new ATOM 0 HA HIS A 63 19.834 -7.129 -3.375 1.00 0.00 H new ATOM 0 HB2 HIS A 63 19.645 -5.932 -1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.470 -4.797 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 63 17.295 -6.312 0.389 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.879 -3.562 -1.712 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.992 -5.032 0.384 1.00 0.00 H new ATOM 1007 N SER A 64 19.066 -8.943 -1.834 1.00 0.00 N ATOM 1008 CA SER A 64 18.538 -10.142 -1.116 1.00 0.00 C ATOM 1009 C SER A 64 19.543 -10.613 -0.064 1.00 0.00 C ATOM 1010 O SER A 64 19.778 -11.797 0.095 1.00 0.00 O ATOM 1011 CB SER A 64 18.359 -11.204 -2.201 1.00 0.00 C ATOM 1012 OG SER A 64 17.181 -11.953 -1.934 1.00 0.00 O ATOM 0 H SER A 64 20.082 -8.901 -1.915 1.00 0.00 H new ATOM 0 HA SER A 64 17.605 -9.933 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.289 -10.731 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.226 -11.864 -2.227 1.00 0.00 H new ATOM 0 HG SER A 64 17.062 -12.634 -2.629 1.00 0.00 H new ATOM 1018 N THR A 65 20.106 -9.698 0.683 1.00 0.00 N ATOM 1019 CA THR A 65 21.064 -10.086 1.761 1.00 0.00 C ATOM 1020 C THR A 65 20.300 -10.526 3.013 1.00 0.00 C ATOM 1021 O THR A 65 20.753 -11.374 3.760 1.00 0.00 O ATOM 1022 CB THR A 65 21.877 -8.822 2.044 1.00 0.00 C ATOM 1023 OG1 THR A 65 22.220 -8.196 0.815 1.00 0.00 O ATOM 1024 CG2 THR A 65 23.151 -9.191 2.805 1.00 0.00 C ATOM 0 H THR A 65 19.943 -8.695 0.592 1.00 0.00 H new ATOM 0 HA THR A 65 21.700 -10.921 1.467 1.00 0.00 H new ATOM 0 HB THR A 65 21.283 -8.136 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 65 22.740 -7.385 0.995 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.729 -8.289 3.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.886 -9.669 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.747 -9.878 2.205 1.00 0.00 H new ATOM 1032 N ASP A 66 19.128 -9.983 3.223 1.00 0.00 N ATOM 1033 CA ASP A 66 18.305 -10.397 4.399 1.00 0.00 C ATOM 1034 C ASP A 66 16.893 -10.780 3.948 1.00 0.00 C ATOM 1035 O ASP A 66 16.179 -9.980 3.372 1.00 0.00 O ATOM 1036 CB ASP A 66 18.263 -9.165 5.305 1.00 0.00 C ATOM 1037 CG ASP A 66 19.503 -9.147 6.200 1.00 0.00 C ATOM 1038 OD1 ASP A 66 19.438 -9.709 7.281 1.00 0.00 O ATOM 1039 OD2 ASP A 66 20.497 -8.571 5.790 1.00 0.00 O ATOM 0 H ASP A 66 18.705 -9.269 2.630 1.00 0.00 H new ATOM 0 HA ASP A 66 18.721 -11.265 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.224 -8.258 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.361 -9.181 5.916 1.00 0.00 H new ATOM 1044 N ALA A 67 16.475 -11.985 4.241 1.00 0.00 N ATOM 1045 CA ALA A 67 15.093 -12.415 3.869 1.00 0.00 C ATOM 1046 C ALA A 67 14.086 -11.910 4.907 1.00 0.00 C ATOM 1047 O ALA A 67 13.652 -12.646 5.772 1.00 0.00 O ATOM 1048 CB ALA A 67 15.140 -13.943 3.867 1.00 0.00 C ATOM 0 H ALA A 67 17.032 -12.691 4.723 1.00 0.00 H new ATOM 0 HA ALA A 67 14.782 -12.016 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.159 -14.337 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.876 -14.283 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 67 15.418 -14.300 4.859 1.00 0.00 H new ATOM 1054 N ARG A 68 13.683 -10.668 4.798 1.00 0.00 N ATOM 1055 CA ARG A 68 12.669 -10.119 5.746 1.00 0.00 C ATOM 1056 C ARG A 68 11.891 -8.978 5.085 1.00 0.00 C ATOM 1057 O ARG A 68 12.469 -8.060 4.533 1.00 0.00 O ATOM 1058 CB ARG A 68 13.478 -9.597 6.934 1.00 0.00 C ATOM 1059 CG ARG A 68 14.002 -10.778 7.753 1.00 0.00 C ATOM 1060 CD ARG A 68 14.473 -10.281 9.123 1.00 0.00 C ATOM 1061 NE ARG A 68 15.626 -11.164 9.482 1.00 0.00 N ATOM 1062 CZ ARG A 68 16.023 -11.302 10.732 1.00 0.00 C ATOM 1063 NH1 ARG A 68 15.453 -10.639 11.712 1.00 0.00 N ATOM 1064 NH2 ARG A 68 17.006 -12.117 11.001 1.00 0.00 N ATOM 0 H ARG A 68 14.014 -10.011 4.092 1.00 0.00 H new ATOM 0 HA ARG A 68 11.938 -10.869 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.310 -8.988 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.855 -8.956 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.218 -11.526 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.825 -11.262 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.776 -9.235 9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.676 -10.352 9.864 1.00 0.00 H new ATOM 0 HE ARG A 68 16.116 -11.670 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.684 -9.999 11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.780 -10.764 12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.457 -12.638 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.323 -12.233 11.963 1.00 0.00 H new ATOM 1078 N GLU A 69 10.585 -9.011 5.172 1.00 0.00 N ATOM 1079 CA GLU A 69 9.761 -7.910 4.591 1.00 0.00 C ATOM 1080 C GLU A 69 9.317 -6.943 5.692 1.00 0.00 C ATOM 1081 O GLU A 69 8.634 -7.325 6.623 1.00 0.00 O ATOM 1082 CB GLU A 69 8.550 -8.608 3.969 1.00 0.00 C ATOM 1083 CG GLU A 69 9.009 -9.488 2.807 1.00 0.00 C ATOM 1084 CD GLU A 69 8.117 -10.728 2.721 1.00 0.00 C ATOM 1085 OE1 GLU A 69 6.909 -10.561 2.655 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.655 -11.822 2.722 1.00 0.00 O ATOM 0 H GLU A 69 10.053 -9.756 5.622 1.00 0.00 H new ATOM 0 HA GLU A 69 10.314 -7.323 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.041 -9.214 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.832 -7.868 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.962 -8.928 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.048 -9.784 2.950 1.00 0.00 H new ATOM 1093 N LEU A 70 9.637 -5.681 5.546 1.00 0.00 N ATOM 1094 CA LEU A 70 9.156 -4.667 6.545 1.00 0.00 C ATOM 1095 C LEU A 70 7.814 -4.075 6.104 1.00 0.00 C ATOM 1096 O LEU A 70 7.619 -2.874 6.126 1.00 0.00 O ATOM 1097 CB LEU A 70 10.240 -3.562 6.670 1.00 0.00 C ATOM 1098 CG LEU A 70 10.865 -3.169 5.315 1.00 0.00 C ATOM 1099 CD1 LEU A 70 9.782 -2.795 4.302 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.788 -1.965 5.525 1.00 0.00 C ATOM 0 H LEU A 70 10.206 -5.308 4.786 1.00 0.00 H new ATOM 0 HA LEU A 70 8.998 -5.138 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.797 -2.678 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.027 -3.908 7.339 1.00 0.00 H new ATOM 0 HG LEU A 70 11.425 -4.020 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.248 -2.522 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.119 -3.646 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.206 -1.950 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.235 -1.679 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.211 -1.129 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.575 -2.229 6.231 1.00 0.00 H new ATOM 1112 N SER A 71 6.872 -4.915 5.756 1.00 0.00 N ATOM 1113 CA SER A 71 5.518 -4.414 5.371 1.00 0.00 C ATOM 1114 C SER A 71 4.567 -4.479 6.571 1.00 0.00 C ATOM 1115 O SER A 71 3.363 -4.569 6.413 1.00 0.00 O ATOM 1116 CB SER A 71 5.048 -5.353 4.262 1.00 0.00 C ATOM 1117 OG SER A 71 5.361 -6.694 4.618 1.00 0.00 O ATOM 0 H SER A 71 6.983 -5.928 5.722 1.00 0.00 H new ATOM 0 HA SER A 71 5.541 -3.375 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.974 -5.246 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.531 -5.092 3.320 1.00 0.00 H new ATOM 0 HG SER A 71 5.059 -7.300 3.909 1.00 0.00 H new ATOM 1123 N LYS A 72 5.095 -4.387 7.766 1.00 0.00 N ATOM 1124 CA LYS A 72 4.225 -4.390 8.979 1.00 0.00 C ATOM 1125 C LYS A 72 4.430 -3.099 9.776 1.00 0.00 C ATOM 1126 O LYS A 72 3.483 -2.470 10.209 1.00 0.00 O ATOM 1127 CB LYS A 72 4.683 -5.602 9.792 1.00 0.00 C ATOM 1128 CG LYS A 72 4.090 -6.876 9.190 1.00 0.00 C ATOM 1129 CD LYS A 72 2.631 -7.018 9.628 1.00 0.00 C ATOM 1130 CE LYS A 72 2.218 -8.491 9.562 1.00 0.00 C ATOM 1131 NZ LYS A 72 1.729 -8.690 8.169 1.00 0.00 N ATOM 0 H LYS A 72 6.095 -4.310 7.953 1.00 0.00 H new ATOM 0 HA LYS A 72 3.165 -4.445 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.771 -5.661 9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.367 -5.497 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.152 -6.840 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.664 -7.745 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.507 -6.640 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.987 -6.420 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.060 -9.148 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.439 -8.716 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.427 -9.677 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.924 -8.057 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.494 -8.475 7.498 1.00 0.00 H new ATOM 1145 N THR A 73 5.660 -2.675 9.927 1.00 0.00 N ATOM 1146 CA THR A 73 5.934 -1.393 10.643 1.00 0.00 C ATOM 1147 C THR A 73 6.120 -0.254 9.636 1.00 0.00 C ATOM 1148 O THR A 73 6.784 0.727 9.913 1.00 0.00 O ATOM 1149 CB THR A 73 7.230 -1.641 11.417 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.257 -2.017 10.509 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.012 -2.760 12.437 1.00 0.00 C ATOM 0 H THR A 73 6.487 -3.163 9.584 1.00 0.00 H new ATOM 0 HA THR A 73 5.115 -1.104 11.301 1.00 0.00 H new ATOM 0 HB THR A 73 7.522 -0.730 11.939 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.089 -2.175 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.936 -2.936 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.225 -2.470 13.133 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.720 -3.673 11.918 1.00 0.00 H new ATOM 1159 N TYR A 74 5.502 -0.361 8.487 1.00 0.00 N ATOM 1160 CA TYR A 74 5.596 0.732 7.473 1.00 0.00 C ATOM 1161 C TYR A 74 4.223 0.989 6.848 1.00 0.00 C ATOM 1162 O TYR A 74 4.120 1.423 5.716 1.00 0.00 O ATOM 1163 CB TYR A 74 6.572 0.208 6.418 1.00 0.00 C ATOM 1164 CG TYR A 74 7.982 0.607 6.784 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.655 -0.066 7.811 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.616 1.649 6.097 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.962 0.303 8.151 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.923 2.018 6.437 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.596 1.345 7.464 1.00 0.00 C ATOM 1170 OH TYR A 74 11.884 1.710 7.799 1.00 0.00 O ATOM 0 H TYR A 74 4.935 -1.161 8.207 1.00 0.00 H new ATOM 0 HA TYR A 74 5.931 1.673 7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.498 -0.877 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.313 0.609 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.166 -0.870 8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.097 2.168 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.481 -0.216 8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.412 2.822 5.907 1.00 0.00 H new ATOM 0 HH TYR A 74 12.518 1.248 7.212 1.00 0.00 H new ATOM 1180 N ILE A 75 3.167 0.730 7.581 1.00 0.00 N ATOM 1181 CA ILE A 75 1.796 0.963 7.033 1.00 0.00 C ATOM 1182 C ILE A 75 1.071 2.041 7.847 1.00 0.00 C ATOM 1183 O ILE A 75 1.402 2.298 8.990 1.00 0.00 O ATOM 1184 CB ILE A 75 1.072 -0.382 7.156 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.852 -1.462 6.398 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.329 -0.263 6.552 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.252 -2.835 6.706 1.00 0.00 C ATOM 0 H ILE A 75 3.196 0.368 8.534 1.00 0.00 H new ATOM 0 HA ILE A 75 1.826 1.312 6.001 1.00 0.00 H new ATOM 0 HB ILE A 75 1.001 -0.654 8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.814 -1.269 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.902 -1.439 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.845 -1.219 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.892 0.503 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.250 0.012 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.806 -3.603 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.314 -3.027 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.208 -2.854 6.393 1.00 0.00 H new ATOM 1199 N ILE A 76 0.074 2.656 7.266 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.701 3.710 7.995 1.00 0.00 C ATOM 1201 C ILE A 76 -2.165 3.288 8.169 1.00 0.00 C ATOM 1202 O ILE A 76 -2.836 3.726 9.085 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.606 4.969 7.122 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.050 4.656 5.685 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.839 5.466 7.107 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.731 5.882 5.076 1.00 0.00 C ATOM 0 H ILE A 76 -0.240 2.474 6.313 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.302 3.879 8.995 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.260 5.737 7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.188 4.370 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.736 3.809 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.910 6.360 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.153 5.703 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.486 4.690 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.044 5.656 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.603 6.148 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.032 6.718 5.063 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.659 2.430 7.313 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.071 1.963 7.440 1.00 0.00 C ATOM 1220 C GLY A 77 -4.402 1.031 6.274 1.00 0.00 C ATOM 1221 O GLY A 77 -3.526 0.420 5.691 1.00 0.00 O ATOM 0 H GLY A 77 -2.142 2.032 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.210 1.442 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.749 2.816 7.443 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.655 0.960 5.897 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.039 0.115 4.729 1.00 0.00 C ATOM 1227 C GLU A 78 -6.969 0.894 3.796 1.00 0.00 C ATOM 1228 O GLU A 78 -7.210 2.071 3.988 1.00 0.00 O ATOM 1229 CB GLU A 78 -6.770 -1.087 5.323 1.00 0.00 C ATOM 1230 CG GLU A 78 -5.751 -2.123 5.802 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.356 -2.947 6.939 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.536 -3.247 6.865 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -5.628 -3.264 7.866 1.00 0.00 O ATOM 0 H GLU A 78 -6.426 1.451 6.349 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.172 -0.186 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.398 -0.768 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.430 -1.529 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.466 -2.776 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.843 -1.625 6.143 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.536 0.228 2.821 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.506 0.907 1.910 1.00 0.00 C ATOM 1242 C LEU A 79 -9.933 0.445 2.224 1.00 0.00 C ATOM 1243 O LEU A 79 -10.142 -0.619 2.776 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.091 0.479 0.499 1.00 0.00 C ATOM 1245 CG LEU A 79 -9.036 1.099 -0.537 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.912 2.624 -0.506 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -8.664 0.589 -1.931 1.00 0.00 C ATOM 0 H LEU A 79 -7.368 -0.757 2.617 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.495 1.991 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.066 0.793 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.113 -0.608 0.419 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.062 0.817 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.586 3.059 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.176 2.990 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.886 2.910 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.334 1.028 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.636 0.872 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.756 -0.497 -1.958 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.914 1.218 1.834 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.334 0.810 2.059 1.00 0.00 C ATOM 1261 C HIS A 80 -12.742 -0.267 1.036 1.00 0.00 C ATOM 1262 O HIS A 80 -12.712 -0.015 -0.152 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.152 2.084 1.845 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.461 1.969 2.577 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.092 0.751 2.775 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.271 2.910 3.163 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.228 0.989 3.454 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.386 2.289 3.717 1.00 0.00 N ATOM 0 H HIS A 80 -10.793 2.117 1.368 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.490 0.387 3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.597 2.950 2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.331 2.240 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.073 3.971 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.928 0.222 3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.158 2.731 4.216 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.114 -1.441 1.515 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.525 -2.542 0.594 1.00 0.00 C ATOM 1278 C PRO A 81 -14.619 -2.074 -0.377 1.00 0.00 C ATOM 1279 O PRO A 81 -14.781 -2.623 -1.450 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.071 -3.614 1.535 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.404 -3.351 2.844 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.185 -1.865 2.925 1.00 0.00 C ATOM 0 HA PRO A 81 -12.702 -2.894 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.155 -3.547 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.842 -4.615 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.024 -3.697 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.457 -3.886 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.001 -1.369 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.267 -1.625 3.461 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.360 -1.055 -0.012 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.435 -0.537 -0.919 1.00 0.00 C ATOM 1292 C ASP A 82 -15.847 -0.124 -2.274 1.00 0.00 C ATOM 1293 O ASP A 82 -16.289 -0.578 -3.312 1.00 0.00 O ATOM 1294 CB ASP A 82 -17.018 0.681 -0.198 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.496 0.832 -0.564 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.267 -0.042 -0.204 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.831 1.820 -1.196 1.00 0.00 O ATOM 0 H ASP A 82 -15.267 -0.559 0.875 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.192 -1.294 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.910 0.565 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.469 1.580 -0.479 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.842 0.715 -2.266 1.00 0.00 N ATOM 1303 CA ASP A 83 -14.205 1.140 -3.550 1.00 0.00 C ATOM 1304 C ASP A 83 -13.222 0.070 -4.035 1.00 0.00 C ATOM 1305 O ASP A 83 -13.152 -0.229 -5.212 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.464 2.435 -3.216 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.468 3.585 -3.111 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -15.375 3.630 -3.926 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -14.313 4.401 -2.216 1.00 0.00 O ATOM 0 H ASP A 83 -14.435 1.124 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.937 1.282 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.922 2.324 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.725 2.653 -3.987 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.490 -0.529 -3.131 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.536 -1.610 -3.530 1.00 0.00 C ATOM 1316 C ARG A 84 -12.295 -2.779 -4.165 1.00 0.00 C ATOM 1317 O ARG A 84 -11.910 -3.291 -5.199 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.862 -2.054 -2.230 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.798 -3.109 -2.538 1.00 0.00 C ATOM 1320 CD ARG A 84 -8.932 -3.345 -1.298 1.00 0.00 C ATOM 1321 NE ARG A 84 -8.771 -4.829 -1.214 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.747 -5.602 -0.779 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -10.917 -5.110 -0.441 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -9.545 -6.888 -0.682 1.00 0.00 N ATOM 0 H ARG A 84 -12.511 -0.317 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.810 -1.263 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.406 -1.197 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.605 -2.461 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.274 -4.041 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.176 -2.780 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.966 -2.848 -1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.410 -2.949 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.888 -5.252 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.088 -4.107 -0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.654 -5.731 -0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.641 -7.283 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.291 -7.498 -0.347 1.00 0.00 H new ATOM 1338 N SER A 85 -13.390 -3.178 -3.570 1.00 0.00 N ATOM 1339 CA SER A 85 -14.206 -4.286 -4.153 1.00 0.00 C ATOM 1340 C SER A 85 -15.246 -3.722 -5.127 1.00 0.00 C ATOM 1341 O SER A 85 -15.097 -2.629 -5.641 1.00 0.00 O ATOM 1342 CB SER A 85 -14.887 -4.945 -2.954 1.00 0.00 C ATOM 1343 OG SER A 85 -15.394 -6.216 -3.342 1.00 0.00 O ATOM 0 H SER A 85 -13.755 -2.783 -2.703 1.00 0.00 H new ATOM 0 HA SER A 85 -13.601 -4.996 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.177 -5.058 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.697 -4.314 -2.589 1.00 0.00 H new ATOM 0 HG SER A 85 -15.830 -6.642 -2.575 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.314 -4.446 -5.353 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.390 -3.942 -6.258 1.00 0.00 C ATOM 1351 C LYS A 86 -18.761 -4.397 -5.750 1.00 0.00 C ATOM 1352 O LYS A 86 -19.369 -5.299 -6.297 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.085 -4.567 -7.621 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.505 -3.601 -8.731 1.00 0.00 C ATOM 1355 CD LYS A 86 -16.310 -2.734 -9.133 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.802 -1.345 -9.546 1.00 0.00 C ATOM 1357 NZ LYS A 86 -15.942 -0.960 -10.700 1.00 0.00 N ATOM 0 H LYS A 86 -16.486 -5.366 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.415 -2.853 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.021 -4.789 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.617 -5.513 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.870 -4.158 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.326 -2.971 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.611 -2.651 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.770 -3.200 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.855 -1.367 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.706 -0.632 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.219 -0.017 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.946 -0.941 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.059 -1.653 -11.467 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.260 -3.759 -4.722 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.606 -4.125 -4.184 1.00 0.00 C ATOM 1373 C ILE A 87 -21.690 -3.299 -4.883 1.00 0.00 C ATOM 1374 O ILE A 87 -22.551 -2.723 -4.245 1.00 0.00 O ATOM 1375 CB ILE A 87 -20.554 -3.784 -2.689 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -19.373 -4.513 -2.029 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -21.863 -4.221 -2.015 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -18.170 -3.571 -1.952 1.00 0.00 C ATOM 0 H ILE A 87 -18.792 -2.998 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.843 -5.176 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.425 -2.708 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.651 -4.847 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.115 -5.403 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -21.824 -3.978 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -22.702 -3.699 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -21.994 -5.296 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.332 -4.088 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.888 -3.259 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.432 -2.694 -1.360 1.00 0.00 H new ATOM 1390 N ALA A 88 -21.671 -3.268 -6.190 1.00 0.00 N ATOM 1391 CA ALA A 88 -22.719 -2.514 -6.944 1.00 0.00 C ATOM 1392 C ALA A 88 -23.966 -3.385 -7.125 1.00 0.00 C ATOM 1393 O ALA A 88 -24.434 -3.594 -8.230 1.00 0.00 O ATOM 1394 CB ALA A 88 -22.082 -2.196 -8.296 1.00 0.00 C ATOM 0 H ALA A 88 -20.973 -3.733 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 88 -23.036 -1.611 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -22.791 -1.641 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -21.186 -1.595 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.814 -3.125 -8.800 1.00 0.00 H new ATOM 1400 N LYS A 89 -24.529 -3.863 -6.043 1.00 0.00 N ATOM 1401 CA LYS A 89 -25.771 -4.685 -6.138 1.00 0.00 C ATOM 1402 C LYS A 89 -26.743 -4.309 -5.007 1.00 0.00 C ATOM 1403 O LYS A 89 -26.402 -3.522 -4.147 1.00 0.00 O ATOM 1404 CB LYS A 89 -25.301 -6.132 -5.980 1.00 0.00 C ATOM 1405 CG LYS A 89 -25.120 -6.766 -7.360 1.00 0.00 C ATOM 1406 CD LYS A 89 -25.216 -8.288 -7.240 1.00 0.00 C ATOM 1407 CE LYS A 89 -24.284 -8.942 -8.263 1.00 0.00 C ATOM 1408 NZ LYS A 89 -23.027 -9.221 -7.513 1.00 0.00 N ATOM 0 H LYS A 89 -24.179 -3.718 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 89 -26.300 -4.528 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.361 -6.162 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -26.028 -6.700 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -25.883 -6.396 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -24.153 -6.484 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.944 -8.602 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -26.243 -8.612 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.717 -9.859 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.100 -8.281 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.337 -9.671 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.634 -8.329 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.232 -9.858 -6.717 1.00 0.00 H new ATOM 1422 N PRO A 90 -27.932 -4.880 -5.039 1.00 0.00 N ATOM 1423 CA PRO A 90 -28.950 -4.585 -3.989 1.00 0.00 C ATOM 1424 C PRO A 90 -28.369 -4.797 -2.585 1.00 0.00 C ATOM 1425 O PRO A 90 -28.700 -4.090 -1.653 1.00 0.00 O ATOM 1426 CB PRO A 90 -30.059 -5.596 -4.269 1.00 0.00 C ATOM 1427 CG PRO A 90 -29.911 -5.941 -5.715 1.00 0.00 C ATOM 1428 CD PRO A 90 -28.445 -5.839 -6.035 1.00 0.00 C ATOM 0 HA PRO A 90 -29.296 -3.552 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -29.955 -6.480 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -31.042 -5.171 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -30.281 -6.947 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -30.491 -5.260 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -27.949 -6.806 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -28.282 -5.484 -7.053 1.00 0.00 H new ATOM 1436 N SER A 91 -27.473 -5.746 -2.438 1.00 0.00 N ATOM 1437 CA SER A 91 -26.820 -5.992 -1.109 1.00 0.00 C ATOM 1438 C SER A 91 -27.876 -6.175 -0.010 1.00 0.00 C ATOM 1439 O SER A 91 -27.810 -5.555 1.035 1.00 0.00 O ATOM 1440 CB SER A 91 -25.972 -4.748 -0.836 1.00 0.00 C ATOM 1441 OG SER A 91 -24.674 -4.936 -1.383 1.00 0.00 O ATOM 0 H SER A 91 -27.163 -6.365 -3.187 1.00 0.00 H new ATOM 0 HA SER A 91 -26.218 -6.900 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 91 -26.442 -3.869 -1.278 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.905 -4.568 0.237 1.00 0.00 H new ATOM 0 HG SER A 91 -24.053 -5.195 -0.670 1.00 0.00 H new ATOM 1447 N GLU A 92 -28.824 -7.051 -0.228 1.00 0.00 N ATOM 1448 CA GLU A 92 -29.861 -7.317 0.815 1.00 0.00 C ATOM 1449 C GLU A 92 -29.652 -8.705 1.430 1.00 0.00 C ATOM 1450 O GLU A 92 -28.797 -9.459 1.005 1.00 0.00 O ATOM 1451 CB GLU A 92 -31.204 -7.245 0.076 1.00 0.00 C ATOM 1452 CG GLU A 92 -31.236 -8.273 -1.059 1.00 0.00 C ATOM 1453 CD GLU A 92 -32.677 -8.461 -1.538 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -33.564 -8.459 -0.699 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -32.869 -8.601 -2.734 1.00 0.00 O ATOM 0 H GLU A 92 -28.925 -7.595 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 92 -29.814 -6.600 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -32.021 -7.434 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -31.353 -6.243 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -30.608 -7.938 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -30.829 -9.224 -0.714 1.00 0.00 H new ATOM 1462 N THR A 93 -30.454 -9.057 2.403 1.00 0.00 N ATOM 1463 CA THR A 93 -30.335 -10.412 3.024 1.00 0.00 C ATOM 1464 C THR A 93 -31.023 -11.469 2.149 1.00 0.00 C ATOM 1465 O THR A 93 -30.680 -12.636 2.191 1.00 0.00 O ATOM 1466 CB THR A 93 -31.027 -10.299 4.389 1.00 0.00 C ATOM 1467 OG1 THR A 93 -30.967 -11.554 5.050 1.00 0.00 O ATOM 1468 CG2 THR A 93 -32.493 -9.885 4.214 1.00 0.00 C ATOM 0 H THR A 93 -31.186 -8.465 2.795 1.00 0.00 H new ATOM 0 HA THR A 93 -29.295 -10.722 3.126 1.00 0.00 H new ATOM 0 HB THR A 93 -30.516 -9.541 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.407 -11.485 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 93 -32.969 -9.810 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 93 -32.541 -8.919 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 93 -33.013 -10.632 3.614 1.00 0.00 H new ATOM 1476 N LEU A 94 -31.963 -11.063 1.330 1.00 0.00 N ATOM 1477 CA LEU A 94 -32.642 -12.034 0.420 1.00 0.00 C ATOM 1478 C LEU A 94 -33.387 -11.286 -0.690 1.00 0.00 C ATOM 1479 O LEU A 94 -34.481 -10.815 -0.428 1.00 0.00 O ATOM 1480 CB LEU A 94 -33.631 -12.791 1.316 1.00 0.00 C ATOM 1481 CG LEU A 94 -33.918 -14.189 0.743 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -34.506 -14.068 -0.667 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -32.621 -15.003 0.687 1.00 0.00 C ATOM 1484 OXT LEU A 94 -32.848 -11.197 -1.780 1.00 0.00 O ATOM 0 H LEU A 94 -32.289 -10.099 1.254 1.00 0.00 H new ATOM 0 HA LEU A 94 -31.937 -12.706 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -33.223 -12.881 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -34.561 -12.228 1.398 1.00 0.00 H new ATOM 0 HG LEU A 94 -34.636 -14.694 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -34.706 -15.063 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -35.435 -13.500 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -33.795 -13.555 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.830 -15.993 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -31.899 -14.493 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -32.210 -15.103 1.692 1.00 0.00 H new TER 1496 LEU A 94