USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 GLN : amide:sc= 0 X(o=-0.07,f=-0.13) USER MOD Set 2.2: A 65 THR OG1 : rot 130:sc= -0.0705 USER MOD Set 3.1: A 48 SER OG : rot 4:sc= 0.512 USER MOD Set 3.2: A 52 SER OG : rot 71:sc= 0.668 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -7.14! C(o=-7.1!,f=-7.2!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 THR OG1 : rot 130:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 43 TYR OH : rot 150:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 166:sc=-0.000256 (180deg=-0.232) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.032) USER MOD Single : A 73 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.039) USER MOD Single : A 74 THR OG1 : rot 106:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.033) USER MOD Single : A 92 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 99 THR OG1 : rot 161:sc= 2.15 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.984 13.663 -3.273 1.00 0.00 N ATOM 67 CA PRO A 8 5.306 13.754 -1.977 1.00 0.00 C ATOM 68 C PRO A 8 3.806 13.505 -2.088 1.00 0.00 C ATOM 69 O PRO A 8 3.161 13.095 -1.123 1.00 0.00 O ATOM 70 CB PRO A 8 5.578 15.193 -1.534 1.00 0.00 C ATOM 71 CG PRO A 8 5.802 15.944 -2.801 1.00 0.00 C ATOM 72 CD PRO A 8 6.459 14.975 -3.745 1.00 0.00 C ATOM 0 HA PRO A 8 5.667 13.002 -1.275 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.736 15.601 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.450 15.248 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.860 16.310 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.435 16.815 -2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.167 15.160 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.546 15.048 -3.703 1.00 0.00 H new ATOM 80 N ASP A 9 3.256 13.755 -3.271 1.00 0.00 N ATOM 81 CA ASP A 9 1.831 13.556 -3.510 1.00 0.00 C ATOM 82 C ASP A 9 1.340 12.279 -2.835 1.00 0.00 C ATOM 83 O ASP A 9 0.225 12.229 -2.316 1.00 0.00 O ATOM 84 CB ASP A 9 1.546 13.497 -5.011 1.00 0.00 C ATOM 85 CG ASP A 9 0.067 13.604 -5.325 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.432 14.743 -5.448 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.591 12.551 -5.448 1.00 0.00 O ATOM 0 H ASP A 9 3.775 14.096 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 9 1.295 14.402 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.080 14.305 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.933 12.561 -5.415 1.00 0.00 H new ATOM 92 N ALA A 10 2.179 11.249 -2.848 1.00 0.00 N ATOM 93 CA ALA A 10 1.831 9.972 -2.237 1.00 0.00 C ATOM 94 C ALA A 10 2.051 10.008 -0.728 1.00 0.00 C ATOM 95 O ALA A 10 2.762 10.863 -0.200 1.00 0.00 O ATOM 96 CB ALA A 10 2.641 8.848 -2.865 1.00 0.00 C ATOM 0 H ALA A 10 3.105 11.274 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 10 0.772 9.786 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.371 7.900 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.430 8.800 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.704 9.037 -2.713 1.00 0.00 H new ATOM 102 N PRO A 11 1.427 9.058 -0.016 1.00 0.00 N ATOM 103 CA PRO A 11 1.540 8.959 1.442 1.00 0.00 C ATOM 104 C PRO A 11 2.930 8.518 1.887 1.00 0.00 C ATOM 105 O PRO A 11 3.817 8.301 1.062 1.00 0.00 O ATOM 106 CB PRO A 11 0.499 7.898 1.808 1.00 0.00 C ATOM 107 CG PRO A 11 0.355 7.069 0.578 1.00 0.00 C ATOM 108 CD PRO A 11 0.564 8.006 -0.580 1.00 0.00 C ATOM 0 HA PRO A 11 1.378 9.920 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.828 7.296 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.449 8.355 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.087 6.262 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.631 6.606 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.040 7.504 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.380 8.412 -0.944 1.00 0.00 H new ATOM 116 N ARG A 12 3.113 8.386 3.197 1.00 0.00 N ATOM 117 CA ARG A 12 4.395 7.971 3.752 1.00 0.00 C ATOM 118 C ARG A 12 4.199 7.176 5.039 1.00 0.00 C ATOM 119 O ARG A 12 3.083 7.053 5.540 1.00 0.00 O ATOM 120 CB ARG A 12 5.277 9.191 4.023 1.00 0.00 C ATOM 121 CG ARG A 12 5.450 10.097 2.815 1.00 0.00 C ATOM 122 CD ARG A 12 6.141 11.399 3.190 1.00 0.00 C ATOM 123 NE ARG A 12 7.581 11.227 3.356 1.00 0.00 N ATOM 124 CZ ARG A 12 8.346 12.062 4.051 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.810 13.122 4.641 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.649 11.837 4.158 1.00 0.00 N ATOM 0 H ARG A 12 2.389 8.561 3.894 1.00 0.00 H new ATOM 0 HA ARG A 12 4.888 7.330 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.844 9.768 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.258 8.853 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.033 9.581 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.475 10.314 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.952 12.145 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.713 11.783 4.116 1.00 0.00 H new ATOM 0 HE ARG A 12 8.024 10.422 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.808 13.298 4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.399 13.761 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.065 11.022 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.235 12.479 4.692 1.00 0.00 H new ATOM 140 N ASN A 13 5.293 6.638 5.569 1.00 0.00 N ATOM 141 CA ASN A 13 5.242 5.853 6.797 1.00 0.00 C ATOM 142 C ASN A 13 4.295 4.666 6.645 1.00 0.00 C ATOM 143 O ASN A 13 3.379 4.482 7.448 1.00 0.00 O ATOM 144 CB ASN A 13 4.794 6.730 7.968 1.00 0.00 C ATOM 145 CG ASN A 13 5.962 7.389 8.676 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.255 7.082 9.832 1.00 0.00 O ATOM 147 ND2 ASN A 13 6.635 8.301 7.984 1.00 0.00 N ATOM 0 H ASN A 13 6.226 6.731 5.167 1.00 0.00 H new ATOM 0 HA ASN A 13 6.243 5.473 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.113 7.499 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.236 6.123 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.430 8.779 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.357 8.524 7.028 1.00 0.00 H new ATOM 154 N LEU A 14 4.523 3.864 5.612 1.00 0.00 N ATOM 155 CA LEU A 14 3.691 2.693 5.354 1.00 0.00 C ATOM 156 C LEU A 14 4.023 1.565 6.326 1.00 0.00 C ATOM 157 O LEU A 14 5.090 0.957 6.244 1.00 0.00 O ATOM 158 CB LEU A 14 3.883 2.214 3.914 1.00 0.00 C ATOM 159 CG LEU A 14 2.935 1.111 3.442 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.498 1.608 3.437 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.336 0.618 2.059 1.00 0.00 C ATOM 0 H LEU A 14 5.277 4.002 4.939 1.00 0.00 H new ATOM 0 HA LEU A 14 2.649 2.978 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.771 3.071 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.907 1.857 3.804 1.00 0.00 H new ATOM 0 HG LEU A 14 3.006 0.275 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.838 0.809 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.214 1.910 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.410 2.461 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.650 -0.167 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.295 1.446 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.351 0.221 2.094 1.00 0.00 H new ATOM 173 N GLN A 15 3.101 1.291 7.243 1.00 0.00 N ATOM 174 CA GLN A 15 3.296 0.234 8.229 1.00 0.00 C ATOM 175 C GLN A 15 2.130 -0.748 8.212 1.00 0.00 C ATOM 176 O GLN A 15 1.016 -0.413 8.615 1.00 0.00 O ATOM 177 CB GLN A 15 3.451 0.835 9.627 1.00 0.00 C ATOM 178 CG GLN A 15 4.867 1.295 9.938 1.00 0.00 C ATOM 179 CD GLN A 15 5.806 0.140 10.226 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.379 -0.927 10.668 1.00 0.00 O ATOM 181 NE2 GLN A 15 7.093 0.347 9.975 1.00 0.00 N ATOM 0 H GLN A 15 2.213 1.785 7.324 1.00 0.00 H new ATOM 0 HA GLN A 15 4.206 -0.307 7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.773 1.682 9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.147 0.095 10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.252 1.869 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.847 1.965 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.403 1.247 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.772 -0.394 10.148 1.00 0.00 H new ATOM 190 N LEU A 16 2.394 -1.963 7.742 1.00 0.00 N ATOM 191 CA LEU A 16 1.366 -2.995 7.671 1.00 0.00 C ATOM 192 C LEU A 16 1.338 -3.824 8.951 1.00 0.00 C ATOM 193 O LEU A 16 2.369 -4.319 9.405 1.00 0.00 O ATOM 194 CB LEU A 16 1.611 -3.905 6.466 1.00 0.00 C ATOM 195 CG LEU A 16 1.888 -3.200 5.138 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.105 -1.899 5.051 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.379 -2.940 4.974 1.00 0.00 C ATOM 0 H LEU A 16 3.311 -2.257 7.405 1.00 0.00 H new ATOM 0 HA LEU A 16 0.400 -2.503 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.456 -4.555 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.740 -4.548 6.338 1.00 0.00 H new ATOM 0 HG LEU A 16 1.561 -3.851 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.315 -1.411 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.038 -2.111 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.400 -1.241 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.558 -2.438 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.730 -2.308 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.918 -3.887 4.991 1.00 0.00 H new ATOM 209 N SER A 17 0.149 -3.973 9.528 1.00 0.00 N ATOM 210 CA SER A 17 -0.013 -4.741 10.757 1.00 0.00 C ATOM 211 C SER A 17 -1.119 -5.782 10.605 1.00 0.00 C ATOM 212 O SER A 17 -1.739 -5.896 9.547 1.00 0.00 O ATOM 213 CB SER A 17 -0.332 -3.809 11.927 1.00 0.00 C ATOM 214 OG SER A 17 -0.978 -2.630 11.479 1.00 0.00 O ATOM 0 H SER A 17 -0.715 -3.572 9.164 1.00 0.00 H new ATOM 0 HA SER A 17 0.925 -5.259 10.959 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.969 -4.326 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.589 -3.547 12.449 1.00 0.00 H new ATOM 0 HG SER A 17 -1.173 -2.052 12.246 1.00 0.00 H new ATOM 220 N LEU A 18 -1.359 -6.539 11.669 1.00 0.00 N ATOM 221 CA LEU A 18 -2.390 -7.572 11.657 1.00 0.00 C ATOM 222 C LEU A 18 -3.327 -7.421 12.850 1.00 0.00 C ATOM 223 O LEU A 18 -2.905 -7.124 13.968 1.00 0.00 O ATOM 224 CB LEU A 18 -1.748 -8.960 11.670 1.00 0.00 C ATOM 225 CG LEU A 18 -1.373 -9.540 10.305 1.00 0.00 C ATOM 226 CD1 LEU A 18 -0.493 -8.567 9.536 1.00 0.00 C ATOM 227 CD2 LEU A 18 -0.673 -10.881 10.469 1.00 0.00 C ATOM 0 H LEU A 18 -0.854 -6.458 12.552 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.974 -7.457 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.848 -8.916 12.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.434 -9.651 12.160 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.288 -9.699 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.236 -8.996 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.030 -7.630 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.419 -8.376 10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.414 -11.278 9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.234 -10.748 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.338 -11.578 10.979 1.00 0.00 H new ATOM 239 N PRO A 19 -4.630 -7.631 12.611 1.00 0.00 N ATOM 240 CA PRO A 19 -5.654 -7.526 13.654 1.00 0.00 C ATOM 241 C PRO A 19 -5.559 -8.655 14.675 1.00 0.00 C ATOM 242 O PRO A 19 -5.515 -9.831 14.311 1.00 0.00 O ATOM 243 CB PRO A 19 -6.967 -7.620 12.874 1.00 0.00 C ATOM 244 CG PRO A 19 -6.619 -8.371 11.635 1.00 0.00 C ATOM 245 CD PRO A 19 -5.204 -7.987 11.302 1.00 0.00 C ATOM 0 HA PRO A 19 -5.552 -6.609 14.234 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.733 -8.139 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.360 -6.631 12.640 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.705 -9.446 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.295 -8.114 10.820 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.663 -8.811 10.837 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.168 -7.149 10.606 1.00 0.00 H new ATOM 253 N ARG A 20 -5.528 -8.291 15.952 1.00 0.00 N ATOM 254 CA ARG A 20 -5.437 -9.274 17.025 1.00 0.00 C ATOM 255 C ARG A 20 -6.751 -10.036 17.176 1.00 0.00 C ATOM 256 O ARG A 20 -6.880 -10.902 18.041 1.00 0.00 O ATOM 257 CB ARG A 20 -5.078 -8.589 18.345 1.00 0.00 C ATOM 258 CG ARG A 20 -6.030 -7.467 18.728 1.00 0.00 C ATOM 259 CD ARG A 20 -5.912 -7.115 20.202 1.00 0.00 C ATOM 260 NE ARG A 20 -4.883 -6.107 20.443 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.859 -5.323 21.515 1.00 0.00 C ATOM 262 NH1 ARG A 20 -5.803 -5.430 22.440 1.00 0.00 N ATOM 263 NH2 ARG A 20 -3.889 -4.430 21.664 1.00 0.00 N ATOM 0 H ARG A 20 -5.565 -7.322 16.269 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.651 -9.984 16.767 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.069 -9.334 19.141 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.067 -8.188 18.273 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.816 -6.585 18.124 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.054 -7.766 18.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.872 -6.747 20.565 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.679 -8.014 20.772 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.142 -5.999 19.750 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.550 -6.116 22.329 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.782 -4.827 23.262 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.161 -4.345 20.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.872 -3.829 22.488 1.00 0.00 H new ATOM 277 N GLU A 21 -7.721 -9.707 16.330 1.00 0.00 N ATOM 278 CA GLU A 21 -9.024 -10.359 16.371 1.00 0.00 C ATOM 279 C GLU A 21 -9.492 -10.731 14.967 1.00 0.00 C ATOM 280 O GLU A 21 -10.691 -10.793 14.696 1.00 0.00 O ATOM 281 CB GLU A 21 -10.055 -9.447 17.039 1.00 0.00 C ATOM 282 CG GLU A 21 -10.075 -9.558 18.554 1.00 0.00 C ATOM 283 CD GLU A 21 -11.240 -8.816 19.179 1.00 0.00 C ATOM 284 OE1 GLU A 21 -12.320 -9.426 19.327 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.074 -7.626 19.518 1.00 0.00 O ATOM 0 H GLU A 21 -7.629 -8.993 15.608 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.925 -11.273 16.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.847 -8.414 16.762 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.045 -9.688 16.652 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.125 -10.610 18.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.141 -9.164 18.956 1.00 0.00 H new ATOM 292 N ALA A 22 -8.536 -10.976 14.077 1.00 0.00 N ATOM 293 CA ALA A 22 -8.848 -11.342 12.701 1.00 0.00 C ATOM 294 C ALA A 22 -7.678 -12.070 12.047 1.00 0.00 C ATOM 295 O ALA A 22 -6.539 -11.607 12.102 1.00 0.00 O ATOM 296 CB ALA A 22 -9.218 -10.104 11.896 1.00 0.00 C ATOM 0 H ALA A 22 -7.539 -10.928 14.285 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.701 -12.020 12.717 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.449 -10.392 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.090 -9.626 12.343 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.381 -9.406 11.897 1.00 0.00 H new ATOM 302 N GLU A 23 -7.968 -13.211 11.430 1.00 0.00 N ATOM 303 CA GLU A 23 -6.938 -14.002 10.767 1.00 0.00 C ATOM 304 C GLU A 23 -6.955 -13.765 9.260 1.00 0.00 C ATOM 305 O GLU A 23 -7.996 -13.458 8.680 1.00 0.00 O ATOM 306 CB GLU A 23 -7.139 -15.490 11.062 1.00 0.00 C ATOM 307 CG GLU A 23 -7.055 -15.835 12.540 1.00 0.00 C ATOM 308 CD GLU A 23 -7.913 -17.029 12.910 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.493 -18.171 12.627 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.003 -16.823 13.482 1.00 0.00 O ATOM 0 H GLU A 23 -8.906 -13.608 11.375 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.969 -13.689 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.112 -15.799 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.387 -16.064 10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.018 -16.043 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.366 -14.972 13.129 1.00 0.00 H new ATOM 317 N GLY A 24 -5.792 -13.909 8.631 1.00 0.00 N ATOM 318 CA GLY A 24 -5.694 -13.706 7.197 1.00 0.00 C ATOM 319 C GLY A 24 -6.039 -12.288 6.788 1.00 0.00 C ATOM 320 O GLY A 24 -6.465 -12.046 5.658 1.00 0.00 O ATOM 0 H GLY A 24 -4.916 -14.162 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.681 -13.940 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.362 -14.401 6.688 1.00 0.00 H new ATOM 324 N VAL A 25 -5.858 -11.347 7.709 1.00 0.00 N ATOM 325 CA VAL A 25 -6.154 -9.945 7.438 1.00 0.00 C ATOM 326 C VAL A 25 -4.944 -9.063 7.723 1.00 0.00 C ATOM 327 O VAL A 25 -4.263 -9.234 8.735 1.00 0.00 O ATOM 328 CB VAL A 25 -7.346 -9.450 8.279 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.426 -7.932 8.251 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.643 -10.070 7.780 1.00 0.00 C ATOM 0 H VAL A 25 -5.508 -11.530 8.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.411 -9.874 6.381 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.194 -9.762 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.274 -7.601 8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.507 -7.512 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.554 -7.593 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.475 -9.710 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.803 -9.790 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.581 -11.155 7.858 1.00 0.00 H new ATOM 340 N ILE A 26 -4.682 -8.118 6.826 1.00 0.00 N ATOM 341 CA ILE A 26 -3.555 -7.208 6.983 1.00 0.00 C ATOM 342 C ILE A 26 -4.020 -5.756 7.006 1.00 0.00 C ATOM 343 O ILE A 26 -4.557 -5.249 6.021 1.00 0.00 O ATOM 344 CB ILE A 26 -2.525 -7.388 5.852 1.00 0.00 C ATOM 345 CG1 ILE A 26 -2.007 -8.827 5.828 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.374 -6.408 6.023 1.00 0.00 C ATOM 347 CD1 ILE A 26 -1.156 -9.143 4.618 1.00 0.00 C ATOM 0 H ILE A 26 -5.235 -7.963 5.983 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.083 -7.451 7.935 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.014 -7.182 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.423 -9.009 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.856 -9.511 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.654 -6.548 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.757 -5.388 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.884 -6.585 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.824 -10.180 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.742 -8.993 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.288 -8.484 4.602 1.00 0.00 H new ATOM 359 N VAL A 27 -3.808 -5.090 8.137 1.00 0.00 N ATOM 360 CA VAL A 27 -4.203 -3.695 8.288 1.00 0.00 C ATOM 361 C VAL A 27 -3.064 -2.757 7.904 1.00 0.00 C ATOM 362 O VAL A 27 -2.137 -2.538 8.683 1.00 0.00 O ATOM 363 CB VAL A 27 -4.641 -3.389 9.732 1.00 0.00 C ATOM 364 CG1 VAL A 27 -5.141 -1.957 9.847 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.708 -4.373 10.185 1.00 0.00 C ATOM 0 H VAL A 27 -3.365 -5.494 8.962 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.047 -3.530 7.618 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.776 -3.500 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.446 -1.760 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.343 -1.269 9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.993 -1.815 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.006 -4.142 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.575 -4.297 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.309 -5.387 10.144 1.00 0.00 H new ATOM 375 N GLY A 28 -3.140 -2.205 6.697 1.00 0.00 N ATOM 376 CA GLY A 28 -2.110 -1.296 6.230 1.00 0.00 C ATOM 377 C GLY A 28 -2.383 0.142 6.623 1.00 0.00 C ATOM 378 O GLY A 28 -3.496 0.641 6.448 1.00 0.00 O ATOM 0 H GLY A 28 -3.897 -2.371 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.147 -1.604 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.034 -1.365 5.145 1.00 0.00 H new ATOM 382 N HIS A 29 -1.367 0.811 7.159 1.00 0.00 N ATOM 383 CA HIS A 29 -1.504 2.201 7.579 1.00 0.00 C ATOM 384 C HIS A 29 -0.499 3.090 6.852 1.00 0.00 C ATOM 385 O HIS A 29 0.494 2.606 6.310 1.00 0.00 O ATOM 386 CB HIS A 29 -1.307 2.320 9.091 1.00 0.00 C ATOM 387 CG HIS A 29 -2.477 1.831 9.888 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.852 2.387 11.093 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.358 0.833 9.645 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.912 1.751 11.558 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.240 0.803 10.697 1.00 0.00 N ATOM 0 H HIS A 29 -0.440 0.413 7.313 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.510 2.535 7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.420 1.755 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.117 3.363 9.343 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.384 3.168 11.553 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.366 0.181 8.784 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.424 1.968 12.484 1.00 0.00 H new ATOM 399 N TRP A 30 -0.766 4.391 6.844 1.00 0.00 N ATOM 400 CA TRP A 30 0.114 5.348 6.182 1.00 0.00 C ATOM 401 C TRP A 30 -0.181 6.770 6.646 1.00 0.00 C ATOM 402 O TRP A 30 -1.105 6.999 7.425 1.00 0.00 O ATOM 403 CB TRP A 30 -0.043 5.250 4.664 1.00 0.00 C ATOM 404 CG TRP A 30 -1.463 5.379 4.204 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.111 6.530 3.857 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.412 4.319 4.043 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.405 6.249 3.490 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.614 4.899 3.594 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.362 2.935 4.231 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.754 4.143 3.334 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.494 2.186 3.973 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.677 2.791 3.528 1.00 0.00 C ATOM 0 H TRP A 30 -1.584 4.808 7.288 1.00 0.00 H new ATOM 0 HA TRP A 30 1.142 5.105 6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.556 6.029 4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.355 4.293 4.326 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.671 7.516 3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.098 6.934 3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.454 2.459 4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.667 4.608 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.467 1.116 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.545 2.178 3.334 1.00 0.00 H new ATOM 423 N ALA A 31 0.610 7.722 6.161 1.00 0.00 N ATOM 424 CA ALA A 31 0.432 9.122 6.524 1.00 0.00 C ATOM 425 C ALA A 31 0.093 9.967 5.301 1.00 0.00 C ATOM 426 O ALA A 31 0.300 9.560 4.158 1.00 0.00 O ATOM 427 CB ALA A 31 1.684 9.654 7.206 1.00 0.00 C ATOM 0 H ALA A 31 1.380 7.548 5.515 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.403 9.188 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.537 10.701 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.881 9.075 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.533 9.568 6.527 1.00 0.00 H new ATOM 433 N PRO A 32 -0.441 11.173 5.545 1.00 0.00 N ATOM 434 CA PRO A 32 -0.821 12.102 4.475 1.00 0.00 C ATOM 435 C PRO A 32 0.391 12.676 3.750 1.00 0.00 C ATOM 436 O PRO A 32 1.472 12.827 4.319 1.00 0.00 O ATOM 437 CB PRO A 32 -1.575 13.208 5.217 1.00 0.00 C ATOM 438 CG PRO A 32 -1.038 13.167 6.606 1.00 0.00 C ATOM 439 CD PRO A 32 -0.716 11.724 6.883 1.00 0.00 C ATOM 0 HA PRO A 32 -1.410 11.613 3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.405 14.181 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.651 13.032 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.149 13.790 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.770 13.547 7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.145 11.624 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.549 11.212 7.365 1.00 0.00 H new ATOM 447 N PRO A 33 0.209 13.007 2.463 1.00 0.00 N ATOM 448 CA PRO A 33 1.277 13.571 1.632 1.00 0.00 C ATOM 449 C PRO A 33 1.644 14.992 2.046 1.00 0.00 C ATOM 450 O PRO A 33 0.796 15.748 2.523 1.00 0.00 O ATOM 451 CB PRO A 33 0.674 13.564 0.225 1.00 0.00 C ATOM 452 CG PRO A 33 -0.799 13.611 0.445 1.00 0.00 C ATOM 453 CD PRO A 33 -1.053 12.855 1.719 1.00 0.00 C ATOM 0 HA PRO A 33 2.203 13.001 1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.015 14.421 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.964 12.669 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.149 14.640 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.333 13.158 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.897 13.269 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.282 11.807 1.526 1.00 0.00 H new ATOM 461 N ILE A 34 2.910 15.349 1.861 1.00 0.00 N ATOM 462 CA ILE A 34 3.388 16.680 2.215 1.00 0.00 C ATOM 463 C ILE A 34 2.695 17.752 1.381 1.00 0.00 C ATOM 464 O ILE A 34 2.126 18.702 1.920 1.00 0.00 O ATOM 465 CB ILE A 34 4.911 16.801 2.023 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.639 15.760 2.875 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.380 18.205 2.377 1.00 0.00 C ATOM 468 CD1 ILE A 34 7.041 15.458 2.394 1.00 0.00 C ATOM 0 H ILE A 34 3.624 14.735 1.468 1.00 0.00 H new ATOM 0 HA ILE A 34 3.150 16.831 3.268 1.00 0.00 H new ATOM 0 HB ILE A 34 5.146 16.614 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.685 16.114 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.059 14.837 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.459 18.275 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.882 18.928 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.135 18.419 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.496 14.712 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.001 15.074 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.637 16.370 2.415 1.00 0.00 H new ATOM 480 N HIS A 35 2.745 17.593 0.062 1.00 0.00 N ATOM 481 CA HIS A 35 2.119 18.546 -0.847 1.00 0.00 C ATOM 482 C HIS A 35 1.555 17.836 -2.074 1.00 0.00 C ATOM 483 O HIS A 35 2.292 17.210 -2.836 1.00 0.00 O ATOM 484 CB HIS A 35 3.129 19.610 -1.278 1.00 0.00 C ATOM 485 CG HIS A 35 2.498 20.817 -1.901 1.00 0.00 C ATOM 486 ND1 HIS A 35 2.085 20.857 -3.216 1.00 0.00 N ATOM 487 CD2 HIS A 35 2.210 22.033 -1.381 1.00 0.00 C ATOM 488 CE1 HIS A 35 1.571 22.045 -3.478 1.00 0.00 C ATOM 489 NE2 HIS A 35 1.634 22.777 -2.381 1.00 0.00 N ATOM 0 H HIS A 35 3.212 16.813 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 35 1.297 19.029 -0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.710 19.921 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.829 19.169 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.398 22.358 -0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.168 22.364 -4.428 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.308 23.739 -2.291 1.00 0.00 H new ATOM 497 N THR A 36 0.242 17.938 -2.260 1.00 0.00 N ATOM 498 CA THR A 36 -0.421 17.305 -3.392 1.00 0.00 C ATOM 499 C THR A 36 -0.849 18.339 -4.427 1.00 0.00 C ATOM 500 O THR A 36 -1.062 19.507 -4.102 1.00 0.00 O ATOM 501 CB THR A 36 -1.657 16.503 -2.943 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.390 17.243 -1.960 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.249 15.155 -2.370 1.00 0.00 C ATOM 0 H THR A 36 -0.383 18.454 -1.640 1.00 0.00 H new ATOM 0 HA THR A 36 0.302 16.623 -3.840 1.00 0.00 H new ATOM 0 HB THR A 36 -2.289 16.333 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.336 17.275 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.139 14.607 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.717 14.583 -3.130 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.598 15.308 -1.509 1.00 0.00 H new ATOM 511 N HIS A 37 -0.974 17.902 -5.677 1.00 0.00 N ATOM 512 CA HIS A 37 -1.378 18.791 -6.761 1.00 0.00 C ATOM 513 C HIS A 37 -2.713 19.459 -6.446 1.00 0.00 C ATOM 514 O HIS A 37 -2.874 20.665 -6.632 1.00 0.00 O ATOM 515 CB HIS A 37 -1.480 18.015 -8.074 1.00 0.00 C ATOM 516 CG HIS A 37 -1.979 18.840 -9.220 1.00 0.00 C ATOM 517 ND1 HIS A 37 -3.241 19.394 -9.255 1.00 0.00 N ATOM 518 CD2 HIS A 37 -1.378 19.205 -10.376 1.00 0.00 C ATOM 519 CE1 HIS A 37 -3.395 20.063 -10.383 1.00 0.00 C ATOM 520 NE2 HIS A 37 -2.278 19.964 -11.082 1.00 0.00 N ATOM 0 H HIS A 37 -0.801 16.938 -5.964 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.619 19.566 -6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.499 17.613 -8.326 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.146 17.164 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.376 18.947 -10.686 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.283 20.600 -10.683 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.112 20.383 -11.997 1.00 0.00 H new ATOM 528 N GLY A 38 -3.668 18.667 -5.968 1.00 0.00 N ATOM 529 CA GLY A 38 -4.976 19.200 -5.636 1.00 0.00 C ATOM 530 C GLY A 38 -5.629 18.460 -4.485 1.00 0.00 C ATOM 531 O GLY A 38 -5.069 17.497 -3.959 1.00 0.00 O ATOM 0 H GLY A 38 -3.559 17.666 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.880 20.255 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.621 19.144 -6.513 1.00 0.00 H new ATOM 535 N LEU A 39 -6.815 18.909 -4.092 1.00 0.00 N ATOM 536 CA LEU A 39 -7.545 18.284 -2.994 1.00 0.00 C ATOM 537 C LEU A 39 -7.544 16.765 -3.135 1.00 0.00 C ATOM 538 O LEU A 39 -7.953 16.227 -4.164 1.00 0.00 O ATOM 539 CB LEU A 39 -8.983 18.802 -2.951 1.00 0.00 C ATOM 540 CG LEU A 39 -9.925 18.089 -1.980 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.438 18.251 -0.548 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.344 18.619 -2.126 1.00 0.00 C ATOM 0 H LEU A 39 -7.292 19.704 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.044 18.545 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.959 19.860 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.404 18.729 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.929 17.026 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.121 17.737 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.441 17.822 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.403 19.310 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.000 18.100 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.357 19.687 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.693 18.450 -3.145 1.00 0.00 H new ATOM 554 N ILE A 40 -7.082 16.080 -2.094 1.00 0.00 N ATOM 555 CA ILE A 40 -7.032 14.623 -2.100 1.00 0.00 C ATOM 556 C ILE A 40 -8.423 14.024 -1.929 1.00 0.00 C ATOM 557 O ILE A 40 -9.012 14.094 -0.850 1.00 0.00 O ATOM 558 CB ILE A 40 -6.113 14.087 -0.987 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.722 14.715 -1.096 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.022 12.570 -1.060 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.986 14.786 0.224 1.00 0.00 C ATOM 0 H ILE A 40 -6.737 16.511 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.628 14.325 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.539 14.360 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.127 14.139 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.817 15.721 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.369 12.206 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.016 12.140 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.616 12.276 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.008 15.242 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.560 15.387 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.859 13.780 0.624 1.00 0.00 H new ATOM 573 N ARG A 41 -8.943 13.432 -3.000 1.00 0.00 N ATOM 574 CA ARG A 41 -10.265 12.819 -2.968 1.00 0.00 C ATOM 575 C ARG A 41 -10.275 11.595 -2.056 1.00 0.00 C ATOM 576 O ARG A 41 -11.184 11.423 -1.244 1.00 0.00 O ATOM 577 CB ARG A 41 -10.700 12.420 -4.379 1.00 0.00 C ATOM 578 CG ARG A 41 -10.761 13.588 -5.351 1.00 0.00 C ATOM 579 CD ARG A 41 -11.527 13.223 -6.612 1.00 0.00 C ATOM 580 NE ARG A 41 -12.073 14.401 -7.281 1.00 0.00 N ATOM 581 CZ ARG A 41 -12.958 14.341 -8.270 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.396 13.166 -8.701 1.00 0.00 N ATOM 583 NH2 ARG A 41 -13.408 15.457 -8.828 1.00 0.00 N ATOM 0 H ARG A 41 -8.468 13.364 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.968 13.552 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.008 11.672 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.682 11.949 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.238 14.440 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.749 13.897 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.866 12.691 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.339 12.541 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.757 15.320 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.053 12.306 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.076 13.122 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.075 16.363 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.087 15.410 -9.587 1.00 0.00 H new ATOM 597 N GLU A 42 -9.259 10.750 -2.197 1.00 0.00 N ATOM 598 CA GLU A 42 -9.153 9.542 -1.387 1.00 0.00 C ATOM 599 C GLU A 42 -7.818 8.843 -1.625 1.00 0.00 C ATOM 600 O GLU A 42 -7.044 9.239 -2.497 1.00 0.00 O ATOM 601 CB GLU A 42 -10.306 8.586 -1.703 1.00 0.00 C ATOM 602 CG GLU A 42 -10.443 8.267 -3.182 1.00 0.00 C ATOM 603 CD GLU A 42 -11.273 9.295 -3.927 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.155 9.914 -3.295 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.041 9.480 -5.139 1.00 0.00 O ATOM 0 H GLU A 42 -8.498 10.879 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.209 9.833 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.159 7.657 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.238 9.024 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.451 8.212 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.900 7.284 -3.297 1.00 0.00 H new ATOM 612 N TYR A 43 -7.555 7.801 -0.844 1.00 0.00 N ATOM 613 CA TYR A 43 -6.313 7.048 -0.967 1.00 0.00 C ATOM 614 C TYR A 43 -6.592 5.590 -1.323 1.00 0.00 C ATOM 615 O TYR A 43 -7.300 4.888 -0.600 1.00 0.00 O ATOM 616 CB TYR A 43 -5.515 7.122 0.336 1.00 0.00 C ATOM 617 CG TYR A 43 -5.402 8.522 0.897 1.00 0.00 C ATOM 618 CD1 TYR A 43 -6.377 9.034 1.743 1.00 0.00 C ATOM 619 CD2 TYR A 43 -4.319 9.333 0.579 1.00 0.00 C ATOM 620 CE1 TYR A 43 -6.278 10.312 2.258 1.00 0.00 C ATOM 621 CE2 TYR A 43 -4.211 10.612 1.090 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.193 11.097 1.928 1.00 0.00 C ATOM 623 OH TYR A 43 -5.089 12.371 2.438 1.00 0.00 O ATOM 0 H TYR A 43 -8.186 7.459 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.727 7.494 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.987 6.479 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.514 6.727 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.228 8.422 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.549 8.957 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.045 10.694 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.362 11.229 0.835 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.143 12.609 2.534 1.00 0.00 H new ATOM 633 N ILE A 44 -6.031 5.143 -2.441 1.00 0.00 N ATOM 634 CA ILE A 44 -6.217 3.770 -2.892 1.00 0.00 C ATOM 635 C ILE A 44 -5.089 2.871 -2.397 1.00 0.00 C ATOM 636 O ILE A 44 -3.941 3.301 -2.283 1.00 0.00 O ATOM 637 CB ILE A 44 -6.288 3.687 -4.428 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.090 2.456 -4.858 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.888 3.647 -5.022 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.592 2.530 -6.283 1.00 0.00 C ATOM 0 H ILE A 44 -5.444 5.712 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.163 3.426 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.795 4.577 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.466 1.569 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.941 2.334 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.955 3.588 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.347 4.550 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.357 2.773 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.151 1.625 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.242 3.398 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.745 2.621 -6.963 1.00 0.00 H new ATOM 652 N VAL A 45 -5.423 1.618 -2.105 1.00 0.00 N ATOM 653 CA VAL A 45 -4.439 0.656 -1.625 1.00 0.00 C ATOM 654 C VAL A 45 -4.369 -0.562 -2.539 1.00 0.00 C ATOM 655 O VAL A 45 -5.385 -1.193 -2.828 1.00 0.00 O ATOM 656 CB VAL A 45 -4.761 0.190 -0.192 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.839 1.381 0.751 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.058 -0.605 -0.170 1.00 0.00 C ATOM 0 H VAL A 45 -6.368 1.245 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.475 1.164 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.957 -0.461 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.067 1.033 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.883 1.905 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.623 2.060 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.270 -0.926 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.874 0.021 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.960 -1.480 -0.813 1.00 0.00 H new ATOM 668 N GLU A 46 -3.162 -0.887 -2.992 1.00 0.00 N ATOM 669 CA GLU A 46 -2.959 -2.030 -3.875 1.00 0.00 C ATOM 670 C GLU A 46 -2.051 -3.067 -3.222 1.00 0.00 C ATOM 671 O GLU A 46 -0.958 -2.745 -2.754 1.00 0.00 O ATOM 672 CB GLU A 46 -2.358 -1.574 -5.206 1.00 0.00 C ATOM 673 CG GLU A 46 -3.380 -0.997 -6.170 1.00 0.00 C ATOM 674 CD GLU A 46 -4.038 0.262 -5.639 1.00 0.00 C ATOM 675 OE1 GLU A 46 -3.519 0.832 -4.657 1.00 0.00 O ATOM 676 OE2 GLU A 46 -5.071 0.676 -6.205 1.00 0.00 O ATOM 0 H GLU A 46 -2.310 -0.375 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.930 -2.489 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.592 -0.824 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.862 -2.421 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.893 -0.775 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.146 -1.745 -6.372 1.00 0.00 H new ATOM 683 N TYR A 47 -2.511 -4.313 -3.194 1.00 0.00 N ATOM 684 CA TYR A 47 -1.742 -5.398 -2.597 1.00 0.00 C ATOM 685 C TYR A 47 -1.698 -6.610 -3.523 1.00 0.00 C ATOM 686 O TYR A 47 -2.588 -6.805 -4.350 1.00 0.00 O ATOM 687 CB TYR A 47 -2.344 -5.795 -1.247 1.00 0.00 C ATOM 688 CG TYR A 47 -3.815 -6.138 -1.318 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.769 -5.150 -1.526 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.249 -7.450 -1.178 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.114 -5.459 -1.590 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.592 -7.769 -1.243 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.521 -6.770 -1.448 1.00 0.00 C ATOM 694 OH TYR A 47 -7.859 -7.082 -1.513 1.00 0.00 O ATOM 0 H TYR A 47 -3.413 -4.596 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.722 -5.044 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.798 -6.652 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.204 -4.976 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.454 -4.123 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.524 -8.234 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.843 -4.679 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.912 -8.795 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.976 -8.048 -1.395 1.00 0.00 H new ATOM 704 N SER A 48 -0.656 -7.421 -3.376 1.00 0.00 N ATOM 705 CA SER A 48 -0.493 -8.613 -4.201 1.00 0.00 C ATOM 706 C SER A 48 0.453 -9.608 -3.537 1.00 0.00 C ATOM 707 O SER A 48 1.517 -9.235 -3.042 1.00 0.00 O ATOM 708 CB SER A 48 0.038 -8.233 -5.584 1.00 0.00 C ATOM 709 OG SER A 48 0.218 -9.381 -6.395 1.00 0.00 O ATOM 0 H SER A 48 0.088 -7.275 -2.694 1.00 0.00 H new ATOM 0 HA SER A 48 -1.470 -9.084 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.658 -7.547 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.986 -7.705 -5.480 1.00 0.00 H new ATOM 0 HG SER A 48 -0.099 -10.174 -5.914 1.00 0.00 H new ATOM 715 N ARG A 49 0.057 -10.877 -3.529 1.00 0.00 N ATOM 716 CA ARG A 49 0.868 -11.927 -2.924 1.00 0.00 C ATOM 717 C ARG A 49 2.202 -12.070 -3.651 1.00 0.00 C ATOM 718 O ARG A 49 2.245 -12.172 -4.877 1.00 0.00 O ATOM 719 CB ARG A 49 0.117 -13.259 -2.949 1.00 0.00 C ATOM 720 CG ARG A 49 0.668 -14.287 -1.974 1.00 0.00 C ATOM 721 CD ARG A 49 -0.046 -15.623 -2.111 1.00 0.00 C ATOM 722 NE ARG A 49 0.573 -16.472 -3.125 1.00 0.00 N ATOM 723 CZ ARG A 49 0.058 -17.628 -3.531 1.00 0.00 C ATOM 724 NH1 ARG A 49 -1.079 -18.069 -3.011 1.00 0.00 N ATOM 725 NH2 ARG A 49 0.681 -18.344 -4.458 1.00 0.00 N ATOM 0 H ARG A 49 -0.820 -11.203 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 49 1.065 -11.648 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.933 -13.079 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.156 -13.670 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.735 -14.423 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.559 -13.918 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.037 -16.139 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.091 -15.451 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 49 1.449 -16.161 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.560 -17.521 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.473 -18.956 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.556 -18.007 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.285 -19.231 -4.769 1.00 0.00 H new ATOM 739 N SER A 50 3.289 -12.076 -2.887 1.00 0.00 N ATOM 740 CA SER A 50 4.625 -12.202 -3.458 1.00 0.00 C ATOM 741 C SER A 50 4.674 -13.333 -4.481 1.00 0.00 C ATOM 742 O SER A 50 4.963 -14.479 -4.143 1.00 0.00 O ATOM 743 CB SER A 50 5.654 -12.454 -2.354 1.00 0.00 C ATOM 744 OG SER A 50 6.929 -12.743 -2.900 1.00 0.00 O ATOM 0 H SER A 50 3.271 -11.995 -1.870 1.00 0.00 H new ATOM 0 HA SER A 50 4.866 -11.267 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.722 -11.578 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.326 -13.285 -1.730 1.00 0.00 H new ATOM 0 HG SER A 50 7.568 -12.898 -2.174 1.00 0.00 H new ATOM 750 N GLY A 51 4.389 -12.999 -5.737 1.00 0.00 N ATOM 751 CA GLY A 51 4.405 -13.996 -6.791 1.00 0.00 C ATOM 752 C GLY A 51 3.083 -14.083 -7.527 1.00 0.00 C ATOM 753 O GLY A 51 2.454 -15.141 -7.563 1.00 0.00 O ATOM 0 H GLY A 51 4.148 -12.056 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.197 -13.757 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.643 -14.969 -6.362 1.00 0.00 H new ATOM 757 N SER A 52 2.659 -12.968 -8.113 1.00 0.00 N ATOM 758 CA SER A 52 1.399 -12.922 -8.847 1.00 0.00 C ATOM 759 C SER A 52 1.321 -11.667 -9.712 1.00 0.00 C ATOM 760 O SER A 52 1.887 -10.628 -9.372 1.00 0.00 O ATOM 761 CB SER A 52 0.217 -12.961 -7.876 1.00 0.00 C ATOM 762 OG SER A 52 0.235 -11.843 -7.006 1.00 0.00 O ATOM 0 H SER A 52 3.169 -12.085 -8.094 1.00 0.00 H new ATOM 0 HA SER A 52 1.353 -13.795 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.718 -12.975 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.252 -13.881 -7.292 1.00 0.00 H new ATOM 0 HG SER A 52 0.008 -11.033 -7.509 1.00 0.00 H new ATOM 768 N LYS A 53 0.613 -11.772 -10.832 1.00 0.00 N ATOM 769 CA LYS A 53 0.457 -10.647 -11.747 1.00 0.00 C ATOM 770 C LYS A 53 -0.907 -9.988 -11.571 1.00 0.00 C ATOM 771 O LYS A 53 -1.399 -9.310 -12.472 1.00 0.00 O ATOM 772 CB LYS A 53 0.628 -11.114 -13.194 1.00 0.00 C ATOM 773 CG LYS A 53 1.879 -11.945 -13.422 1.00 0.00 C ATOM 774 CD LYS A 53 1.692 -12.934 -14.559 1.00 0.00 C ATOM 775 CE LYS A 53 1.148 -14.264 -14.058 1.00 0.00 C ATOM 776 NZ LYS A 53 0.501 -15.045 -15.148 1.00 0.00 N ATOM 0 H LYS A 53 0.138 -12.625 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 53 1.228 -9.912 -11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.245 -11.700 -13.483 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.657 -10.242 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.718 -11.287 -13.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.131 -12.483 -12.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.009 -12.515 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.645 -13.096 -15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.960 -14.848 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.425 -14.084 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.144 -15.944 -14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.290 -14.498 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.197 -15.239 -15.896 1.00 0.00 H new ATOM 790 N MET A 54 -1.512 -10.192 -10.406 1.00 0.00 N ATOM 791 CA MET A 54 -2.819 -9.615 -10.112 1.00 0.00 C ATOM 792 C MET A 54 -2.784 -8.826 -8.807 1.00 0.00 C ATOM 793 O MET A 54 -2.593 -9.395 -7.732 1.00 0.00 O ATOM 794 CB MET A 54 -3.879 -10.715 -10.029 1.00 0.00 C ATOM 795 CG MET A 54 -4.338 -11.221 -11.386 1.00 0.00 C ATOM 796 SD MET A 54 -3.044 -12.113 -12.269 1.00 0.00 S ATOM 797 CE MET A 54 -3.220 -11.426 -13.914 1.00 0.00 C ATOM 0 H MET A 54 -1.119 -10.752 -9.650 1.00 0.00 H new ATOM 0 HA MET A 54 -3.077 -8.932 -10.921 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.479 -11.551 -9.455 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.742 -10.336 -9.481 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.199 -11.876 -11.253 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.670 -10.377 -11.991 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.345 -11.684 -14.511 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.114 -11.834 -14.385 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.308 -10.342 -13.848 1.00 0.00 H new ATOM 807 N TRP A 55 -2.969 -7.515 -8.909 1.00 0.00 N ATOM 808 CA TRP A 55 -2.958 -6.648 -7.736 1.00 0.00 C ATOM 809 C TRP A 55 -4.362 -6.142 -7.420 1.00 0.00 C ATOM 810 O TRP A 55 -5.019 -5.539 -8.267 1.00 0.00 O ATOM 811 CB TRP A 55 -2.014 -5.466 -7.959 1.00 0.00 C ATOM 812 CG TRP A 55 -0.568 -5.856 -7.980 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.071 -6.586 -8.942 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.420 -5.539 -6.992 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.396 -6.741 -8.612 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.635 -6.108 -7.421 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.396 -4.828 -5.789 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.812 -5.988 -6.688 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.565 -4.710 -5.062 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.760 -5.287 -5.514 1.00 0.00 C ATOM 0 H TRP A 55 -3.128 -7.029 -9.791 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.603 -7.232 -6.887 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.266 -4.982 -8.903 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.173 -4.730 -7.171 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.396 -6.983 -9.831 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.089 -7.246 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.520 -4.379 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.734 -6.432 -7.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.558 -4.164 -4.130 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.658 -5.176 -4.924 1.00 0.00 H new ATOM 831 N ALA A 56 -4.814 -6.392 -6.196 1.00 0.00 N ATOM 832 CA ALA A 56 -6.139 -5.959 -5.768 1.00 0.00 C ATOM 833 C ALA A 56 -6.120 -4.504 -5.312 1.00 0.00 C ATOM 834 O ALA A 56 -5.371 -4.137 -4.408 1.00 0.00 O ATOM 835 CB ALA A 56 -6.653 -6.857 -4.653 1.00 0.00 C ATOM 0 H ALA A 56 -4.283 -6.892 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.813 -6.036 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.643 -6.522 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.713 -7.884 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.972 -6.809 -3.804 1.00 0.00 H new ATOM 841 N SER A 57 -6.949 -3.680 -5.945 1.00 0.00 N ATOM 842 CA SER A 57 -7.024 -2.263 -5.608 1.00 0.00 C ATOM 843 C SER A 57 -8.339 -1.942 -4.903 1.00 0.00 C ATOM 844 O SER A 57 -9.388 -2.488 -5.246 1.00 0.00 O ATOM 845 CB SER A 57 -6.886 -1.409 -6.869 1.00 0.00 C ATOM 846 OG SER A 57 -7.873 -1.750 -7.827 1.00 0.00 O ATOM 0 H SER A 57 -7.578 -3.969 -6.694 1.00 0.00 H new ATOM 0 HA SER A 57 -6.202 -2.032 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.976 -0.354 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.894 -1.548 -7.299 1.00 0.00 H new ATOM 0 HG SER A 57 -7.764 -1.189 -8.623 1.00 0.00 H new ATOM 852 N GLN A 58 -8.273 -1.053 -3.918 1.00 0.00 N ATOM 853 CA GLN A 58 -9.457 -0.659 -3.164 1.00 0.00 C ATOM 854 C GLN A 58 -9.291 0.740 -2.581 1.00 0.00 C ATOM 855 O GLN A 58 -8.187 1.144 -2.216 1.00 0.00 O ATOM 856 CB GLN A 58 -9.731 -1.663 -2.043 1.00 0.00 C ATOM 857 CG GLN A 58 -8.767 -1.547 -0.873 1.00 0.00 C ATOM 858 CD GLN A 58 -9.291 -2.212 0.384 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.377 -1.887 0.866 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.522 -3.151 0.922 1.00 0.00 N ATOM 0 H GLN A 58 -7.412 -0.592 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.306 -0.649 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.749 -1.521 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.676 -2.673 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.813 -1.998 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.575 -0.494 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.629 -3.389 0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.824 -3.635 1.768 1.00 0.00 H new ATOM 869 N ARG A 59 -10.395 1.476 -2.496 1.00 0.00 N ATOM 870 CA ARG A 59 -10.371 2.831 -1.959 1.00 0.00 C ATOM 871 C ARG A 59 -10.409 2.811 -0.433 1.00 0.00 C ATOM 872 O ARG A 59 -11.071 1.968 0.170 1.00 0.00 O ATOM 873 CB ARG A 59 -11.553 3.638 -2.498 1.00 0.00 C ATOM 874 CG ARG A 59 -11.264 4.332 -3.819 1.00 0.00 C ATOM 875 CD ARG A 59 -11.027 3.329 -4.936 1.00 0.00 C ATOM 876 NE ARG A 59 -12.213 2.521 -5.207 1.00 0.00 N ATOM 877 CZ ARG A 59 -12.292 1.640 -6.198 1.00 0.00 C ATOM 878 NH1 ARG A 59 -11.260 1.454 -7.008 1.00 0.00 N ATOM 879 NH2 ARG A 59 -13.406 0.942 -6.380 1.00 0.00 N ATOM 0 H ARG A 59 -11.317 1.156 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.442 3.304 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.408 2.974 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.838 4.386 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.101 4.979 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.388 4.971 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.734 3.859 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.197 2.676 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.026 2.640 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.402 1.988 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.324 0.777 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.203 1.082 -5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.466 0.266 -7.141 1.00 0.00 H new ATOM 893 N ALA A 60 -9.693 3.746 0.183 1.00 0.00 N ATOM 894 CA ALA A 60 -9.646 3.837 1.637 1.00 0.00 C ATOM 895 C ALA A 60 -10.033 5.233 2.113 1.00 0.00 C ATOM 896 O ALA A 60 -9.375 6.218 1.779 1.00 0.00 O ATOM 897 CB ALA A 60 -8.259 3.471 2.144 1.00 0.00 C ATOM 0 H ALA A 60 -9.138 4.451 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.369 3.130 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.238 3.543 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.019 2.451 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.524 4.156 1.721 1.00 0.00 H new ATOM 903 N ALA A 61 -11.106 5.311 2.893 1.00 0.00 N ATOM 904 CA ALA A 61 -11.581 6.586 3.415 1.00 0.00 C ATOM 905 C ALA A 61 -10.505 7.272 4.251 1.00 0.00 C ATOM 906 O ALA A 61 -10.103 8.398 3.961 1.00 0.00 O ATOM 907 CB ALA A 61 -12.843 6.383 4.240 1.00 0.00 C ATOM 0 H ALA A 61 -11.663 4.505 3.177 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.814 7.232 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.186 7.344 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.620 5.944 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.629 5.715 5.075 1.00 0.00 H new ATOM 913 N SER A 62 -10.042 6.584 5.290 1.00 0.00 N ATOM 914 CA SER A 62 -9.016 7.129 6.171 1.00 0.00 C ATOM 915 C SER A 62 -7.621 6.753 5.678 1.00 0.00 C ATOM 916 O SER A 62 -7.468 6.157 4.614 1.00 0.00 O ATOM 917 CB SER A 62 -9.217 6.620 7.600 1.00 0.00 C ATOM 918 OG SER A 62 -10.294 7.290 8.232 1.00 0.00 O ATOM 0 H SER A 62 -10.361 5.649 5.542 1.00 0.00 H new ATOM 0 HA SER A 62 -9.106 8.215 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.411 5.547 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.303 6.770 8.175 1.00 0.00 H new ATOM 0 HG SER A 62 -10.404 6.946 9.143 1.00 0.00 H new ATOM 924 N ASN A 63 -6.608 7.109 6.461 1.00 0.00 N ATOM 925 CA ASN A 63 -5.226 6.810 6.105 1.00 0.00 C ATOM 926 C ASN A 63 -4.862 5.379 6.489 1.00 0.00 C ATOM 927 O ASN A 63 -3.799 5.129 7.058 1.00 0.00 O ATOM 928 CB ASN A 63 -4.276 7.792 6.794 1.00 0.00 C ATOM 929 CG ASN A 63 -4.202 9.125 6.076 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.226 9.726 5.751 1.00 0.00 O ATOM 931 ND2 ASN A 63 -2.985 9.595 5.825 1.00 0.00 N ATOM 0 H ASN A 63 -6.718 7.605 7.346 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.125 6.914 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.606 7.953 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.279 7.354 6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.872 10.488 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.164 9.063 6.113 1.00 0.00 H new ATOM 938 N PHE A 64 -5.751 4.443 6.173 1.00 0.00 N ATOM 939 CA PHE A 64 -5.524 3.037 6.484 1.00 0.00 C ATOM 940 C PHE A 64 -6.582 2.156 5.826 1.00 0.00 C ATOM 941 O PHE A 64 -7.632 2.639 5.400 1.00 0.00 O ATOM 942 CB PHE A 64 -5.535 2.820 7.999 1.00 0.00 C ATOM 943 CG PHE A 64 -6.899 2.520 8.552 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.972 3.351 8.273 1.00 0.00 C ATOM 945 CD2 PHE A 64 -7.107 1.408 9.352 1.00 0.00 C ATOM 946 CE1 PHE A 64 -9.228 3.078 8.780 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.361 1.130 9.862 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.423 1.966 9.576 1.00 0.00 C ATOM 0 H PHE A 64 -6.635 4.633 5.702 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.547 2.757 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.863 1.998 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.141 3.711 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.825 4.222 7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.280 0.751 9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.056 3.733 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.511 0.260 10.484 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.404 1.751 9.974 1.00 0.00 H new ATOM 958 N THR A 65 -6.298 0.860 5.745 1.00 0.00 N ATOM 959 CA THR A 65 -7.223 -0.088 5.137 1.00 0.00 C ATOM 960 C THR A 65 -7.070 -1.475 5.751 1.00 0.00 C ATOM 961 O THR A 65 -6.081 -1.759 6.426 1.00 0.00 O ATOM 962 CB THR A 65 -7.006 -0.187 3.615 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.072 -0.934 3.016 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.675 -0.852 3.300 1.00 0.00 C ATOM 0 H THR A 65 -5.435 0.443 6.093 1.00 0.00 H new ATOM 0 HA THR A 65 -8.229 0.284 5.330 1.00 0.00 H new ATOM 0 HB THR A 65 -6.995 0.823 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.434 -0.434 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.544 -0.911 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.864 -0.266 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.661 -1.857 3.722 1.00 0.00 H new ATOM 972 N GLU A 66 -8.056 -2.334 5.513 1.00 0.00 N ATOM 973 CA GLU A 66 -8.030 -3.692 6.044 1.00 0.00 C ATOM 974 C GLU A 66 -8.181 -4.718 4.924 1.00 0.00 C ATOM 975 O GLU A 66 -9.275 -4.921 4.397 1.00 0.00 O ATOM 976 CB GLU A 66 -9.144 -3.881 7.077 1.00 0.00 C ATOM 977 CG GLU A 66 -8.718 -3.554 8.498 1.00 0.00 C ATOM 978 CD GLU A 66 -9.864 -3.038 9.346 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.761 -2.372 8.788 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.864 -3.300 10.567 1.00 0.00 O ATOM 0 H GLU A 66 -8.882 -2.114 4.957 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.065 -3.847 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.990 -3.250 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.492 -4.913 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.300 -4.447 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.925 -2.807 8.473 1.00 0.00 H new ATOM 987 N ILE A 67 -7.074 -5.360 4.566 1.00 0.00 N ATOM 988 CA ILE A 67 -7.083 -6.364 3.510 1.00 0.00 C ATOM 989 C ILE A 67 -7.355 -7.754 4.075 1.00 0.00 C ATOM 990 O ILE A 67 -6.460 -8.403 4.616 1.00 0.00 O ATOM 991 CB ILE A 67 -5.747 -6.386 2.743 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.486 -5.028 2.090 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.756 -7.490 1.696 1.00 0.00 C ATOM 994 CD1 ILE A 67 -4.039 -4.808 1.709 1.00 0.00 C ATOM 0 H ILE A 67 -6.160 -5.203 4.991 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.883 -6.091 2.822 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.942 -6.588 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.106 -4.938 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.797 -4.239 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.806 -7.493 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.901 -8.454 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.568 -7.315 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.929 -3.825 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.415 -4.865 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.729 -5.575 0.999 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.597 -8.207 3.943 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.989 -9.522 4.437 1.00 0.00 C ATOM 1008 C LYS A 68 -8.888 -10.570 3.334 1.00 0.00 C ATOM 1009 O LYS A 68 -8.503 -10.263 2.206 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.417 -9.479 4.985 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.757 -8.181 5.696 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.804 -8.395 6.777 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.623 -7.418 7.929 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.877 -7.248 8.713 1.00 0.00 N ATOM 0 H LYS A 68 -9.350 -7.683 3.498 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.306 -9.799 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.117 -9.627 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.557 -10.310 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.855 -7.761 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.124 -7.454 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.800 -8.275 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.739 -9.417 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.829 -7.774 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.305 -6.451 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.713 -6.575 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.628 -6.884 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.167 -8.166 9.107 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.237 -11.809 3.666 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.186 -12.902 2.703 1.00 0.00 C ATOM 1030 C ASN A 69 -7.752 -13.165 2.253 1.00 0.00 C ATOM 1031 O ASN A 69 -7.462 -13.208 1.057 1.00 0.00 O ATOM 1032 CB ASN A 69 -10.062 -12.582 1.490 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.431 -12.065 1.886 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.164 -12.721 2.627 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.783 -10.884 1.392 1.00 0.00 N ATOM 0 H ASN A 69 -9.558 -12.081 4.595 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.565 -13.800 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.561 -11.839 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.177 -13.479 0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.693 -10.485 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.143 -10.375 0.782 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.857 -13.341 3.220 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.453 -13.600 2.924 1.00 0.00 C ATOM 1044 C LEU A 70 -5.011 -14.937 3.511 1.00 0.00 C ATOM 1045 O LEU A 70 -5.741 -15.561 4.282 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.578 -12.474 3.478 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.962 -11.056 3.054 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.163 -10.028 3.840 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.749 -10.870 1.559 1.00 0.00 C ATOM 0 H LEU A 70 -7.079 -13.309 4.215 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.338 -13.643 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.601 -12.525 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.548 -12.657 3.172 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.020 -10.907 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.450 -9.025 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.366 -10.145 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.099 -10.176 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.027 -9.855 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.700 -11.039 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.367 -11.582 1.012 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.811 -15.371 3.142 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.270 -16.634 3.633 1.00 0.00 C ATOM 1063 C LEU A 71 -2.254 -16.395 4.746 1.00 0.00 C ATOM 1064 O LEU A 71 -1.259 -15.697 4.553 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.616 -17.411 2.489 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.504 -17.695 1.277 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.681 -18.275 0.137 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.636 -18.639 1.655 1.00 0.00 C ATOM 0 H LEU A 71 -3.194 -14.867 2.505 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.094 -17.221 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.742 -16.854 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.256 -18.362 2.881 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.940 -16.754 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.329 -18.471 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.906 -17.564 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.216 -19.206 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.258 -18.830 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.220 -19.579 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.242 -18.185 2.439 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.512 -16.981 5.911 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.619 -16.834 7.055 1.00 0.00 C ATOM 1082 C VAL A 72 -0.216 -17.330 6.723 1.00 0.00 C ATOM 1083 O VAL A 72 -0.044 -18.241 5.915 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.147 -17.603 8.281 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.439 -16.980 8.786 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.351 -19.072 7.941 1.00 0.00 C ATOM 0 H VAL A 72 -3.332 -17.562 6.088 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.579 -15.771 7.292 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.405 -17.537 9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.797 -17.536 9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.256 -15.944 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.191 -17.013 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.724 -19.600 8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.073 -19.161 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.402 -19.509 7.631 1.00 0.00 H new ATOM 1096 N ASN A 73 0.784 -16.723 7.354 1.00 0.00 N ATOM 1097 CA ASN A 73 2.174 -17.103 7.126 1.00 0.00 C ATOM 1098 C ASN A 73 2.544 -16.953 5.653 1.00 0.00 C ATOM 1099 O ASN A 73 3.133 -17.853 5.055 1.00 0.00 O ATOM 1100 CB ASN A 73 2.411 -18.545 7.579 1.00 0.00 C ATOM 1101 CG ASN A 73 2.837 -18.632 9.032 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.888 -18.118 9.414 1.00 0.00 O ATOM 1103 ND2 ASN A 73 2.019 -19.284 9.850 1.00 0.00 N ATOM 0 H ASN A 73 0.658 -15.967 8.027 1.00 0.00 H new ATOM 0 HA ASN A 73 2.808 -16.437 7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.498 -19.123 7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.177 -18.999 6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.252 -19.374 10.839 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.158 -19.694 9.489 1.00 0.00 H new ATOM 1110 N THR A 74 2.195 -15.808 5.075 1.00 0.00 N ATOM 1111 CA THR A 74 2.490 -15.539 3.673 1.00 0.00 C ATOM 1112 C THR A 74 2.866 -14.078 3.460 1.00 0.00 C ATOM 1113 O THR A 74 2.232 -13.176 4.011 1.00 0.00 O ATOM 1114 CB THR A 74 1.290 -15.885 2.770 1.00 0.00 C ATOM 1115 OG1 THR A 74 1.056 -17.298 2.787 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.537 -15.424 1.342 1.00 0.00 C ATOM 0 H THR A 74 1.708 -15.052 5.556 1.00 0.00 H new ATOM 0 HA THR A 74 3.335 -16.172 3.401 1.00 0.00 H new ATOM 0 HB THR A 74 0.412 -15.367 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.258 -17.491 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.677 -15.679 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.686 -14.344 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.426 -15.918 0.949 1.00 0.00 H new ATOM 1124 N LEU A 75 3.900 -13.849 2.658 1.00 0.00 N ATOM 1125 CA LEU A 75 4.361 -12.494 2.372 1.00 0.00 C ATOM 1126 C LEU A 75 3.367 -11.758 1.479 1.00 0.00 C ATOM 1127 O LEU A 75 2.824 -12.331 0.533 1.00 0.00 O ATOM 1128 CB LEU A 75 5.735 -12.533 1.702 1.00 0.00 C ATOM 1129 CG LEU A 75 6.451 -11.190 1.560 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.722 -10.298 0.567 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.567 -10.502 2.913 1.00 0.00 C ATOM 0 H LEU A 75 4.435 -14.583 2.194 1.00 0.00 H new ATOM 0 HA LEU A 75 4.440 -11.956 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.376 -13.205 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.621 -12.968 0.709 1.00 0.00 H new ATOM 0 HG LEU A 75 7.456 -11.374 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.247 -9.347 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.692 -10.787 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.705 -10.121 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.079 -9.547 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.571 -10.330 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.134 -11.135 3.596 1.00 0.00 H new ATOM 1143 N TYR A 76 3.135 -10.486 1.783 1.00 0.00 N ATOM 1144 CA TYR A 76 2.207 -9.672 1.008 1.00 0.00 C ATOM 1145 C TYR A 76 2.752 -8.260 0.813 1.00 0.00 C ATOM 1146 O TYR A 76 3.146 -7.596 1.772 1.00 0.00 O ATOM 1147 CB TYR A 76 0.845 -9.613 1.702 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.102 -10.709 1.269 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.004 -11.989 1.800 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.097 -10.464 0.330 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -0.867 -12.994 1.407 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.965 -11.462 -0.068 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.846 -12.725 0.473 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.709 -13.722 0.080 1.00 0.00 O ATOM 0 H TYR A 76 3.577 -9.996 2.561 1.00 0.00 H new ATOM 0 HA TYR A 76 2.089 -10.135 0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.993 -9.677 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.385 -8.646 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.760 -12.202 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.193 -9.476 -0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.776 -13.984 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.733 -11.254 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.338 -13.368 -0.582 1.00 0.00 H new ATOM 1164 N THR A 77 2.772 -7.808 -0.437 1.00 0.00 N ATOM 1165 CA THR A 77 3.269 -6.476 -0.759 1.00 0.00 C ATOM 1166 C THR A 77 2.121 -5.489 -0.935 1.00 0.00 C ATOM 1167 O THR A 77 1.297 -5.633 -1.839 1.00 0.00 O ATOM 1168 CB THR A 77 4.120 -6.490 -2.043 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.046 -7.582 -2.006 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.878 -5.181 -2.204 1.00 0.00 C ATOM 0 H THR A 77 2.450 -8.344 -1.243 1.00 0.00 H new ATOM 0 HA THR A 77 3.892 -6.160 0.078 1.00 0.00 H new ATOM 0 HB THR A 77 3.450 -6.611 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.582 -7.585 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.472 -5.214 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.169 -4.355 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.537 -5.034 -1.348 1.00 0.00 H new ATOM 1178 N VAL A 78 2.072 -4.484 -0.065 1.00 0.00 N ATOM 1179 CA VAL A 78 1.025 -3.471 -0.126 1.00 0.00 C ATOM 1180 C VAL A 78 1.597 -2.114 -0.519 1.00 0.00 C ATOM 1181 O VAL A 78 2.799 -1.878 -0.403 1.00 0.00 O ATOM 1182 CB VAL A 78 0.296 -3.337 1.224 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.838 -2.329 1.121 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.224 -4.690 1.685 1.00 0.00 C ATOM 0 H VAL A 78 2.745 -4.350 0.690 1.00 0.00 H new ATOM 0 HA VAL A 78 0.313 -3.796 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 78 1.007 -2.974 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.341 -2.248 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.436 -1.356 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.551 -2.660 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.736 -4.577 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.920 -5.084 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.611 -5.381 1.801 1.00 0.00 H new ATOM 1194 N ARG A 79 0.726 -1.224 -0.984 1.00 0.00 N ATOM 1195 CA ARG A 79 1.144 0.111 -1.396 1.00 0.00 C ATOM 1196 C ARG A 79 -0.052 1.055 -1.477 1.00 0.00 C ATOM 1197 O ARG A 79 -1.097 0.704 -2.027 1.00 0.00 O ATOM 1198 CB ARG A 79 1.853 0.052 -2.750 1.00 0.00 C ATOM 1199 CG ARG A 79 1.018 -0.588 -3.847 1.00 0.00 C ATOM 1200 CD ARG A 79 1.706 -0.490 -5.199 1.00 0.00 C ATOM 1201 NE ARG A 79 0.922 -1.120 -6.259 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.157 -0.938 -7.554 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.148 -0.150 -7.947 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.400 -1.545 -8.458 1.00 0.00 N ATOM 0 H ARG A 79 -0.273 -1.403 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 79 1.837 0.494 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.123 1.063 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.783 -0.506 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.838 -1.635 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.045 -0.100 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.873 0.559 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.686 -0.964 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 79 0.152 -1.733 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.732 0.318 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.326 -0.012 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.363 -2.152 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.581 -1.405 -9.452 1.00 0.00 H new ATOM 1218 N VAL A 80 0.107 2.253 -0.924 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.959 3.248 -0.934 1.00 0.00 C ATOM 1220 C VAL A 80 -0.645 4.381 -1.904 1.00 0.00 C ATOM 1221 O VAL A 80 0.519 4.700 -2.145 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.190 3.837 0.470 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.380 4.784 0.462 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.390 2.725 1.488 1.00 0.00 C ATOM 0 H VAL A 80 0.964 2.558 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.865 2.737 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.305 4.406 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.528 5.191 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.192 5.599 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.274 4.242 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.552 3.160 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.257 2.127 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.504 2.090 1.512 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.690 4.986 -2.457 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.526 6.087 -3.399 1.00 0.00 C ATOM 1236 C ALA A 81 -2.583 7.163 -3.177 1.00 0.00 C ATOM 1237 O ALA A 81 -3.757 6.859 -2.966 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.588 5.571 -4.829 1.00 0.00 C ATOM 0 H ALA A 81 -2.660 4.733 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.548 6.536 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.464 6.403 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.791 4.844 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.553 5.095 -5.003 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.159 8.421 -3.225 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.070 9.542 -3.029 1.00 0.00 C ATOM 1246 C ALA A 82 -3.759 9.923 -4.335 1.00 0.00 C ATOM 1247 O ALA A 82 -3.103 10.275 -5.316 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.322 10.737 -2.457 1.00 0.00 C ATOM 0 H ALA A 82 -1.190 8.690 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.838 9.234 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.015 11.566 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.881 10.465 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.533 11.037 -3.147 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.086 9.850 -4.342 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.865 10.188 -5.528 1.00 0.00 C ATOM 1256 C VAL A 83 -6.292 11.651 -5.506 1.00 0.00 C ATOM 1257 O VAL A 83 -6.581 12.210 -4.447 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.118 9.300 -5.649 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.187 9.995 -6.478 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.757 7.950 -6.251 1.00 0.00 C ATOM 0 H VAL A 83 -5.645 9.560 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.221 10.013 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.521 9.131 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.064 9.353 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.465 10.934 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.799 10.197 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.654 7.335 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.330 8.097 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.029 7.450 -5.612 1.00 0.00 H new ATOM 1270 N THR A 84 -6.332 12.268 -6.683 1.00 0.00 N ATOM 1271 CA THR A 84 -6.724 13.667 -6.800 1.00 0.00 C ATOM 1272 C THR A 84 -7.798 13.850 -7.867 1.00 0.00 C ATOM 1273 O THR A 84 -8.163 12.902 -8.562 1.00 0.00 O ATOM 1274 CB THR A 84 -5.518 14.562 -7.142 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.827 14.037 -8.282 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.562 14.656 -5.963 1.00 0.00 C ATOM 0 H THR A 84 -6.098 11.820 -7.569 1.00 0.00 H new ATOM 0 HA THR A 84 -7.124 13.965 -5.831 1.00 0.00 H new ATOM 0 HB THR A 84 -5.888 15.562 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.062 14.612 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.718 15.293 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.083 15.082 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.199 13.660 -5.709 1.00 0.00 H new ATOM 1284 N SER A 85 -8.300 15.075 -7.991 1.00 0.00 N ATOM 1285 CA SER A 85 -9.334 15.381 -8.972 1.00 0.00 C ATOM 1286 C SER A 85 -9.119 14.584 -10.255 1.00 0.00 C ATOM 1287 O SER A 85 -10.025 13.902 -10.734 1.00 0.00 O ATOM 1288 CB SER A 85 -9.343 16.879 -9.284 1.00 0.00 C ATOM 1289 OG SER A 85 -10.602 17.286 -9.793 1.00 0.00 O ATOM 0 H SER A 85 -8.007 15.871 -7.424 1.00 0.00 H new ATOM 0 HA SER A 85 -10.298 15.099 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.113 17.443 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.563 17.107 -10.010 1.00 0.00 H new ATOM 0 HG SER A 85 -10.583 18.247 -9.983 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.913 14.675 -10.806 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.578 13.965 -12.034 1.00 0.00 C ATOM 1297 C ARG A 86 -7.658 12.455 -11.827 1.00 0.00 C ATOM 1298 O ARG A 86 -8.475 11.775 -12.447 1.00 0.00 O ATOM 1299 CB ARG A 86 -6.176 14.352 -12.506 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.745 13.644 -13.780 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.352 14.073 -14.212 1.00 0.00 C ATOM 1302 NE ARG A 86 -3.734 13.103 -15.111 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.363 11.884 -14.734 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -3.547 11.489 -13.482 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -2.807 11.057 -15.611 1.00 0.00 N ATOM 0 H ARG A 86 -7.151 15.234 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.302 14.249 -12.798 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.141 15.429 -12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.460 14.126 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.762 12.566 -13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.457 13.861 -14.576 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.409 15.042 -14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.723 14.202 -13.331 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.578 13.376 -16.081 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.974 12.121 -12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.261 10.553 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.664 11.357 -16.575 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.523 10.122 -15.320 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.802 11.936 -10.951 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.792 10.511 -10.679 1.00 0.00 C ATOM 1321 C GLY A 87 -5.675 10.109 -9.736 1.00 0.00 C ATOM 1322 O GLY A 87 -5.154 10.940 -8.991 1.00 0.00 O ATOM 0 H GLY A 87 -6.116 12.477 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.750 10.220 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.686 9.966 -11.617 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.309 8.832 -9.765 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.248 8.323 -8.906 1.00 0.00 C ATOM 1328 C ILE A 88 -2.896 8.915 -9.290 1.00 0.00 C ATOM 1329 O ILE A 88 -2.623 9.152 -10.466 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.160 6.786 -8.971 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.507 6.160 -8.605 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.064 6.279 -8.045 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.664 4.737 -9.091 1.00 0.00 C ATOM 0 H ILE A 88 -5.732 8.131 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.496 8.623 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.911 6.494 -9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.626 6.180 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.308 6.769 -9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.014 5.192 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.107 6.703 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.285 6.579 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.642 4.358 -8.796 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.578 4.712 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.885 4.114 -8.651 1.00 0.00 H new ATOM 1345 N GLY A 89 -2.053 9.150 -8.290 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.738 9.711 -8.544 1.00 0.00 C ATOM 1347 C GLY A 89 0.376 8.715 -8.293 1.00 0.00 C ATOM 1348 O GLY A 89 0.215 7.519 -8.536 1.00 0.00 O ATOM 0 H GLY A 89 -2.256 8.962 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.687 10.056 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.590 10.584 -7.909 1.00 0.00 H new ATOM 1352 N ASN A 90 1.510 9.208 -7.806 1.00 0.00 N ATOM 1353 CA ASN A 90 2.657 8.352 -7.524 1.00 0.00 C ATOM 1354 C ASN A 90 2.290 7.265 -6.518 1.00 0.00 C ATOM 1355 O ASN A 90 1.222 7.305 -5.907 1.00 0.00 O ATOM 1356 CB ASN A 90 3.822 9.186 -6.988 1.00 0.00 C ATOM 1357 CG ASN A 90 4.210 10.309 -7.930 1.00 0.00 C ATOM 1358 OD1 ASN A 90 4.152 11.485 -7.569 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.609 9.951 -9.145 1.00 0.00 N ATOM 0 H ASN A 90 1.659 10.195 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 90 2.960 7.873 -8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.550 9.606 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.684 8.539 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.883 10.663 -9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.641 8.964 -9.401 1.00 0.00 H new ATOM 1366 N TRP A 91 3.182 6.296 -6.351 1.00 0.00 N ATOM 1367 CA TRP A 91 2.953 5.198 -5.419 1.00 0.00 C ATOM 1368 C TRP A 91 3.920 5.272 -4.242 1.00 0.00 C ATOM 1369 O TRP A 91 5.108 5.540 -4.419 1.00 0.00 O ATOM 1370 CB TRP A 91 3.103 3.854 -6.134 1.00 0.00 C ATOM 1371 CG TRP A 91 1.991 3.567 -7.097 1.00 0.00 C ATOM 1372 CD1 TRP A 91 2.041 3.660 -8.459 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.663 3.141 -6.771 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.824 3.318 -8.998 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.038 2.995 -7.984 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.001 2.867 -5.572 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.368 2.588 -8.030 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.322 2.464 -5.619 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -1.994 2.327 -6.841 1.00 0.00 C ATOM 0 H TRP A 91 4.071 6.248 -6.849 1.00 0.00 H new ATOM 0 HA TRP A 91 1.936 5.286 -5.036 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.052 3.840 -6.671 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.145 3.058 -5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.909 3.958 -9.028 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.599 3.307 -9.993 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.509 2.968 -4.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -1.888 2.482 -8.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.845 2.251 -4.699 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.026 2.009 -6.845 1.00 0.00 H new ATOM 1390 N SER A 92 3.403 5.032 -3.041 1.00 0.00 N ATOM 1391 CA SER A 92 4.221 5.076 -1.835 1.00 0.00 C ATOM 1392 C SER A 92 5.180 3.890 -1.786 1.00 0.00 C ATOM 1393 O SER A 92 4.933 2.852 -2.400 1.00 0.00 O ATOM 1394 CB SER A 92 3.331 5.078 -0.590 1.00 0.00 C ATOM 1395 OG SER A 92 3.007 3.757 -0.193 1.00 0.00 O ATOM 0 H SER A 92 2.422 4.805 -2.878 1.00 0.00 H new ATOM 0 HA SER A 92 4.807 5.995 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.841 5.591 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.416 5.635 -0.794 1.00 0.00 H new ATOM 0 HG SER A 92 2.439 3.785 0.605 1.00 0.00 H new ATOM 1401 N ASP A 93 6.275 4.054 -1.052 1.00 0.00 N ATOM 1402 CA ASP A 93 7.273 2.998 -0.921 1.00 0.00 C ATOM 1403 C ASP A 93 6.614 1.671 -0.555 1.00 0.00 C ATOM 1404 O ASP A 93 6.426 1.364 0.622 1.00 0.00 O ATOM 1405 CB ASP A 93 8.310 3.375 0.137 1.00 0.00 C ATOM 1406 CG ASP A 93 8.945 4.726 -0.131 1.00 0.00 C ATOM 1407 OD1 ASP A 93 8.280 5.753 0.118 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.107 4.755 -0.590 1.00 0.00 O ATOM 0 H ASP A 93 6.494 4.908 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 93 7.773 2.883 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.836 3.388 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.087 2.611 0.169 1.00 0.00 H new ATOM 1413 N SER A 94 6.266 0.889 -1.572 1.00 0.00 N ATOM 1414 CA SER A 94 5.624 -0.403 -1.358 1.00 0.00 C ATOM 1415 C SER A 94 6.443 -1.264 -0.401 1.00 0.00 C ATOM 1416 O SER A 94 7.640 -1.469 -0.602 1.00 0.00 O ATOM 1417 CB SER A 94 5.441 -1.132 -2.690 1.00 0.00 C ATOM 1418 OG SER A 94 5.245 -0.214 -3.752 1.00 0.00 O ATOM 0 H SER A 94 6.418 1.127 -2.552 1.00 0.00 H new ATOM 0 HA SER A 94 4.645 -0.226 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.317 -1.748 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.586 -1.805 -2.625 1.00 0.00 H new ATOM 0 HG SER A 94 5.132 -0.705 -4.592 1.00 0.00 H new ATOM 1424 N LYS A 95 5.788 -1.767 0.640 1.00 0.00 N ATOM 1425 CA LYS A 95 6.453 -2.608 1.629 1.00 0.00 C ATOM 1426 C LYS A 95 5.890 -4.025 1.604 1.00 0.00 C ATOM 1427 O LYS A 95 4.938 -4.312 0.879 1.00 0.00 O ATOM 1428 CB LYS A 95 6.293 -2.009 3.028 1.00 0.00 C ATOM 1429 CG LYS A 95 7.015 -0.685 3.209 1.00 0.00 C ATOM 1430 CD LYS A 95 8.488 -0.891 3.524 1.00 0.00 C ATOM 1431 CE LYS A 95 9.258 0.419 3.471 1.00 0.00 C ATOM 1432 NZ LYS A 95 10.713 0.218 3.716 1.00 0.00 N ATOM 0 H LYS A 95 4.797 -1.607 0.821 1.00 0.00 H new ATOM 0 HA LYS A 95 7.513 -2.652 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.232 -1.866 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.667 -2.721 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.916 -0.089 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.545 -0.121 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.591 -1.335 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.918 -1.596 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.115 0.885 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.856 1.107 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.202 1.135 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.852 -0.203 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.103 -0.418 2.991 1.00 0.00 H new ATOM 1446 N SER A 96 6.484 -4.907 2.401 1.00 0.00 N ATOM 1447 CA SER A 96 6.044 -6.295 2.468 1.00 0.00 C ATOM 1448 C SER A 96 5.891 -6.747 3.918 1.00 0.00 C ATOM 1449 O SER A 96 6.627 -6.302 4.799 1.00 0.00 O ATOM 1450 CB SER A 96 7.037 -7.204 1.741 1.00 0.00 C ATOM 1451 OG SER A 96 7.385 -6.669 0.476 1.00 0.00 O ATOM 0 H SER A 96 7.272 -4.685 3.010 1.00 0.00 H new ATOM 0 HA SER A 96 5.073 -6.366 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.935 -7.326 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.602 -8.195 1.613 1.00 0.00 H new ATOM 0 HG SER A 96 8.022 -7.267 0.032 1.00 0.00 H new ATOM 1457 N ILE A 97 4.931 -7.635 4.156 1.00 0.00 N ATOM 1458 CA ILE A 97 4.682 -8.148 5.497 1.00 0.00 C ATOM 1459 C ILE A 97 4.288 -9.621 5.458 1.00 0.00 C ATOM 1460 O ILE A 97 3.436 -10.026 4.666 1.00 0.00 O ATOM 1461 CB ILE A 97 3.574 -7.350 6.209 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.253 -7.980 7.566 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.326 -7.286 5.340 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.288 -7.164 8.398 1.00 0.00 C ATOM 0 H ILE A 97 4.314 -8.014 3.438 1.00 0.00 H new ATOM 0 HA ILE A 97 5.612 -8.038 6.054 1.00 0.00 H new ATOM 0 HB ILE A 97 3.929 -6.333 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.833 -8.973 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.180 -8.112 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.552 -6.719 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.565 -6.797 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.966 -8.296 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.106 -7.671 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.715 -6.179 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.347 -7.053 7.860 1.00 0.00 H new ATOM 1476 N THR A 98 4.912 -10.418 6.319 1.00 0.00 N ATOM 1477 CA THR A 98 4.627 -11.846 6.384 1.00 0.00 C ATOM 1478 C THR A 98 3.546 -12.144 7.416 1.00 0.00 C ATOM 1479 O THR A 98 3.797 -12.113 8.622 1.00 0.00 O ATOM 1480 CB THR A 98 5.890 -12.656 6.731 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.937 -12.353 5.803 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.599 -14.149 6.706 1.00 0.00 C ATOM 0 H THR A 98 5.619 -10.099 6.982 1.00 0.00 H new ATOM 0 HA THR A 98 4.274 -12.143 5.396 1.00 0.00 H new ATOM 0 HB THR A 98 6.206 -12.380 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.737 -12.871 6.032 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.506 -14.701 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.822 -14.381 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.260 -14.437 5.711 1.00 0.00 H new ATOM 1490 N THR A 99 2.340 -12.434 6.937 1.00 0.00 N ATOM 1491 CA THR A 99 1.220 -12.738 7.819 1.00 0.00 C ATOM 1492 C THR A 99 1.584 -13.834 8.813 1.00 0.00 C ATOM 1493 O THR A 99 2.644 -14.451 8.709 1.00 0.00 O ATOM 1494 CB THR A 99 -0.021 -13.177 7.019 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.377 -13.955 5.885 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.823 -11.970 6.557 1.00 0.00 C ATOM 0 H THR A 99 2.114 -12.465 5.943 1.00 0.00 H new ATOM 0 HA THR A 99 0.988 -11.822 8.362 1.00 0.00 H new ATOM 0 HB THR A 99 -0.650 -13.782 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.386 -14.479 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.694 -12.306 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.150 -11.397 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.200 -11.341 5.921 1.00 0.00 H new ATOM 1504 N ILE A 100 0.699 -14.071 9.776 1.00 0.00 N ATOM 1505 CA ILE A 100 0.928 -15.095 10.788 1.00 0.00 C ATOM 1506 C ILE A 100 -0.337 -15.905 11.046 1.00 0.00 C ATOM 1507 O ILE A 100 -1.450 -15.432 10.811 1.00 0.00 O ATOM 1508 CB ILE A 100 1.409 -14.477 12.114 1.00 0.00 C ATOM 1509 CG1 ILE A 100 0.360 -13.505 12.659 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.742 -13.771 11.918 1.00 0.00 C ATOM 1511 CD1 ILE A 100 0.659 -13.016 14.059 1.00 0.00 C ATOM 0 H ILE A 100 -0.183 -13.568 9.876 1.00 0.00 H new ATOM 0 HA ILE A 100 1.705 -15.754 10.401 1.00 0.00 H new ATOM 0 HB ILE A 100 1.548 -15.277 12.841 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.289 -12.647 11.990 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.614 -13.994 12.654 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.068 -13.340 12.865 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.486 -14.488 11.571 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.629 -12.979 11.178 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.126 -12.331 14.381 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.701 -13.866 14.740 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.618 -12.498 14.066 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.161 -17.128 11.533 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.288 -18.005 11.828 1.00 0.00 C ATOM 1525 C LYS A 101 -1.562 -18.054 13.327 1.00 0.00 C ATOM 1526 O LYS A 101 -1.087 -18.948 14.026 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.013 -19.416 11.302 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.205 -20.351 11.418 1.00 0.00 C ATOM 1529 CD LYS A 101 -1.768 -21.801 11.537 1.00 0.00 C ATOM 1530 CE LYS A 101 -2.824 -22.749 10.991 1.00 0.00 C ATOM 1531 NZ LYS A 101 -2.409 -24.174 11.116 1.00 0.00 N ATOM 0 H LYS A 101 0.753 -17.535 11.732 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.170 -17.603 11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.712 -19.353 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.173 -19.842 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.800 -20.077 12.289 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.846 -20.234 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.833 -21.946 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.571 -22.038 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.761 -22.596 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.014 -22.517 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.156 -24.788 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.528 -24.327 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.253 -24.403 12.118 1.00 0.00 H new