USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 555 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 8 HIS : no HD1:sc= -1 K(o=0.21,f=-8.8!) USER MOD Set 1.2: A 24 TYR OH : rot -6:sc= 1.29 USER MOD Set 1.3: A 26 THR OG1 : rot -170:sc= -0.0754 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -73:sc= 0.167 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0.993 (180deg=0.728) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= 0.143 (180deg=-1.1!) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0567) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -110:sc= -1.18 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 162:sc= -0.129 (180deg=-0.644) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.133) USER MOD Single : A 73 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.15 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0125 (180deg=-0.155) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.086) USER MOD Single : A 84 SER OG : rot 45:sc= 0.942 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 7 2.568 -13.560 -5.130 1.00 0.00 N ATOM 19 CA ASN A 7 3.044 -12.373 -4.436 1.00 0.00 C ATOM 20 C ASN A 7 1.914 -11.370 -4.275 1.00 0.00 C ATOM 21 O ASN A 7 1.239 -11.023 -5.243 1.00 0.00 O ATOM 22 CB ASN A 7 4.211 -11.726 -5.189 1.00 0.00 C ATOM 23 CG ASN A 7 5.444 -12.607 -5.243 1.00 0.00 C ATOM 24 OD1 ASN A 7 5.615 -13.400 -6.168 1.00 0.00 O ATOM 25 ND2 ASN A 7 6.319 -12.467 -4.258 1.00 0.00 N ATOM 0 HA ASN A 7 3.397 -12.678 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.895 -11.491 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.467 -10.782 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.171 -13.028 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.141 -11.798 -3.509 1.00 0.00 H new ATOM 32 N HIS A 8 1.686 -10.940 -3.046 1.00 0.00 N ATOM 33 CA HIS A 8 0.673 -9.943 -2.751 1.00 0.00 C ATOM 34 C HIS A 8 1.303 -8.556 -2.782 1.00 0.00 C ATOM 35 O HIS A 8 2.228 -8.273 -2.021 1.00 0.00 O ATOM 36 CB HIS A 8 0.050 -10.206 -1.374 1.00 0.00 C ATOM 37 CG HIS A 8 -0.544 -11.575 -1.217 1.00 0.00 C ATOM 38 ND1 HIS A 8 -1.894 -11.796 -1.043 1.00 0.00 N ATOM 39 CD2 HIS A 8 0.034 -12.800 -1.202 1.00 0.00 C ATOM 40 CE1 HIS A 8 -2.115 -13.092 -0.934 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.963 -13.724 -1.027 1.00 0.00 N ATOM 0 H HIS A 8 2.196 -11.271 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.114 -10.001 -3.503 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.814 -10.064 -0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.726 -9.463 -1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.088 -13.010 -1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.079 -13.557 -0.792 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.834 -14.735 -0.977 1.00 0.00 H new ATOM 50 N TYR A 9 0.810 -7.709 -3.664 1.00 0.00 N ATOM 51 CA TYR A 9 1.413 -6.407 -3.896 1.00 0.00 C ATOM 52 C TYR A 9 0.616 -5.304 -3.211 1.00 0.00 C ATOM 53 O TYR A 9 -0.599 -5.206 -3.387 1.00 0.00 O ATOM 54 CB TYR A 9 1.483 -6.124 -5.401 1.00 0.00 C ATOM 55 CG TYR A 9 1.913 -7.315 -6.235 1.00 0.00 C ATOM 56 CD1 TYR A 9 3.251 -7.671 -6.357 1.00 0.00 C ATOM 57 CD2 TYR A 9 0.969 -8.083 -6.908 1.00 0.00 C ATOM 58 CE1 TYR A 9 3.632 -8.759 -7.126 1.00 0.00 C ATOM 59 CE2 TYR A 9 1.343 -9.168 -7.678 1.00 0.00 C ATOM 60 CZ TYR A 9 2.673 -9.502 -7.782 1.00 0.00 C ATOM 61 OH TYR A 9 3.046 -10.577 -8.556 1.00 0.00 O ATOM 0 H TYR A 9 -0.012 -7.899 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 9 2.419 -6.421 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.504 -5.789 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.179 -5.303 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.005 -7.091 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.077 -7.827 -6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.676 -9.024 -7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.595 -9.750 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 9 2.248 -10.991 -8.947 1.00 0.00 H new ATOM 71 N VAL A 10 1.308 -4.492 -2.428 1.00 0.00 N ATOM 72 CA VAL A 10 0.711 -3.317 -1.810 1.00 0.00 C ATOM 73 C VAL A 10 1.279 -2.069 -2.474 1.00 0.00 C ATOM 74 O VAL A 10 2.446 -1.731 -2.269 1.00 0.00 O ATOM 75 CB VAL A 10 0.995 -3.241 -0.291 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.237 -2.078 0.332 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.645 -4.547 0.408 1.00 0.00 C ATOM 0 H VAL A 10 2.294 -4.627 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.368 -3.385 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 10 2.064 -3.074 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.447 -2.038 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.553 -1.145 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.833 -2.217 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.857 -4.458 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.414 -4.763 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.241 -5.356 -0.014 1.00 0.00 H new ATOM 87 N TYR A 11 0.475 -1.401 -3.282 1.00 0.00 N ATOM 88 CA TYR A 11 0.956 -0.235 -4.012 1.00 0.00 C ATOM 89 C TYR A 11 0.283 1.046 -3.527 1.00 0.00 C ATOM 90 O TYR A 11 -0.938 1.116 -3.395 1.00 0.00 O ATOM 91 CB TYR A 11 0.774 -0.409 -5.529 1.00 0.00 C ATOM 92 CG TYR A 11 -0.629 -0.766 -5.983 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.059 -2.088 -6.003 1.00 0.00 C ATOM 94 CD2 TYR A 11 -1.513 0.217 -6.409 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.332 -2.418 -6.431 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.785 -0.104 -6.840 1.00 0.00 C ATOM 97 CZ TYR A 11 -3.191 -1.422 -6.848 1.00 0.00 C ATOM 98 OH TYR A 11 -4.461 -1.742 -7.278 1.00 0.00 O ATOM 0 H TYR A 11 -0.502 -1.639 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 11 2.024 -0.146 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.072 0.517 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.457 -1.186 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.388 -2.870 -5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.200 1.251 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.652 -3.449 -6.439 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.459 0.673 -7.169 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.935 -0.924 -7.535 1.00 0.00 H new ATOM 108 N ILE A 12 1.102 2.047 -3.243 1.00 0.00 N ATOM 109 CA ILE A 12 0.618 3.359 -2.841 1.00 0.00 C ATOM 110 C ILE A 12 0.764 4.346 -3.993 1.00 0.00 C ATOM 111 O ILE A 12 1.879 4.652 -4.432 1.00 0.00 O ATOM 112 CB ILE A 12 1.366 3.890 -1.589 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.823 3.227 -0.323 1.00 0.00 C ATOM 114 CG2 ILE A 12 1.246 5.406 -1.476 1.00 0.00 C ATOM 115 CD1 ILE A 12 -0.571 3.684 0.030 1.00 0.00 C ATOM 0 H ILE A 12 2.118 1.973 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.435 3.257 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 12 2.421 3.639 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.822 2.145 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.492 3.444 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.780 5.748 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.677 5.872 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.195 5.683 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.901 3.178 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.570 4.761 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.251 3.443 -0.787 1.00 0.00 H new ATOM 127 N LEU A 13 -0.365 4.828 -4.485 1.00 0.00 N ATOM 128 CA LEU A 13 -0.377 5.761 -5.596 1.00 0.00 C ATOM 129 C LEU A 13 -0.861 7.131 -5.144 1.00 0.00 C ATOM 130 O LEU A 13 -1.931 7.266 -4.550 1.00 0.00 O ATOM 131 CB LEU A 13 -1.262 5.227 -6.718 1.00 0.00 C ATOM 132 CG LEU A 13 -0.798 3.905 -7.325 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.859 3.360 -8.261 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.520 4.087 -8.064 1.00 0.00 C ATOM 0 H LEU A 13 -1.290 4.586 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 13 0.641 5.867 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.274 5.099 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.314 5.976 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.641 3.189 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.518 2.417 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.783 3.194 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.040 4.077 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.833 3.134 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.391 4.816 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.281 4.442 -7.369 1.00 0.00 H new ATOM 146 N GLU A 14 -0.058 8.137 -5.432 1.00 0.00 N ATOM 147 CA GLU A 14 -0.357 9.503 -5.048 1.00 0.00 C ATOM 148 C GLU A 14 -1.156 10.195 -6.141 1.00 0.00 C ATOM 149 O GLU A 14 -0.673 10.374 -7.263 1.00 0.00 O ATOM 150 CB GLU A 14 0.952 10.242 -4.774 1.00 0.00 C ATOM 151 CG GLU A 14 0.790 11.673 -4.305 1.00 0.00 C ATOM 152 CD GLU A 14 2.101 12.245 -3.823 1.00 0.00 C ATOM 153 OE1 GLU A 14 2.973 12.548 -4.666 1.00 0.00 O ATOM 154 OE2 GLU A 14 2.273 12.388 -2.598 1.00 0.00 O ATOM 0 H GLU A 14 0.821 8.030 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.963 9.507 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.513 9.689 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.552 10.239 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.403 12.283 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.056 11.713 -3.500 1.00 0.00 H new ATOM 161 N CYS A 15 -2.381 10.565 -5.812 1.00 0.00 N ATOM 162 CA CYS A 15 -3.283 11.167 -6.778 1.00 0.00 C ATOM 163 C CYS A 15 -3.155 12.689 -6.783 1.00 0.00 C ATOM 164 O CYS A 15 -2.393 13.264 -6.007 1.00 0.00 O ATOM 165 CB CYS A 15 -4.725 10.758 -6.465 1.00 0.00 C ATOM 166 SG CYS A 15 -4.973 8.970 -6.336 1.00 0.00 S ATOM 0 H CYS A 15 -2.776 10.458 -4.878 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.012 10.806 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.029 11.225 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.380 11.150 -7.243 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.919 8.438 -7.521 1.00 0.00 H new ATOM 172 N LYS A 16 -3.930 13.323 -7.664 1.00 0.00 N ATOM 173 CA LYS A 16 -3.957 14.782 -7.814 1.00 0.00 C ATOM 174 C LYS A 16 -4.213 15.489 -6.485 1.00 0.00 C ATOM 175 O LYS A 16 -3.675 16.566 -6.226 1.00 0.00 O ATOM 176 CB LYS A 16 -5.053 15.157 -8.814 1.00 0.00 C ATOM 177 CG LYS A 16 -6.371 14.445 -8.542 1.00 0.00 C ATOM 178 CD LYS A 16 -7.442 14.809 -9.550 1.00 0.00 C ATOM 179 CE LYS A 16 -8.748 14.092 -9.244 1.00 0.00 C ATOM 180 NZ LYS A 16 -9.224 14.361 -7.856 1.00 0.00 N ATOM 0 H LYS A 16 -4.562 12.836 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.980 15.105 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.214 16.235 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.716 14.915 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.209 13.367 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.718 14.698 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.604 15.887 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.106 14.547 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.510 14.409 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.612 13.019 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.192 13.997 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.595 13.888 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.217 15.386 -7.679 1.00 0.00 H new ATOM 194 N ASP A 17 -5.027 14.866 -5.647 1.00 0.00 N ATOM 195 CA ASP A 17 -5.433 15.443 -4.371 1.00 0.00 C ATOM 196 C ASP A 17 -4.276 15.462 -3.379 1.00 0.00 C ATOM 197 O ASP A 17 -4.346 16.122 -2.341 1.00 0.00 O ATOM 198 CB ASP A 17 -6.576 14.621 -3.764 1.00 0.00 C ATOM 199 CG ASP A 17 -7.750 14.427 -4.705 1.00 0.00 C ATOM 200 OD1 ASP A 17 -7.625 13.642 -5.672 1.00 0.00 O ATOM 201 OD2 ASP A 17 -8.813 15.029 -4.465 1.00 0.00 O ATOM 0 H ASP A 17 -5.426 13.945 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.758 16.466 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.193 13.644 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.926 15.114 -2.857 1.00 0.00 H new ATOM 206 N GLY A 18 -3.210 14.738 -3.700 1.00 0.00 N ATOM 207 CA GLY A 18 -2.155 14.512 -2.733 1.00 0.00 C ATOM 208 C GLY A 18 -2.532 13.386 -1.800 1.00 0.00 C ATOM 209 O GLY A 18 -1.880 13.144 -0.786 1.00 0.00 O ATOM 0 H GLY A 18 -3.058 14.305 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.225 14.271 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.975 15.422 -2.161 1.00 0.00 H new ATOM 213 N SER A 19 -3.611 12.706 -2.159 1.00 0.00 N ATOM 214 CA SER A 19 -4.135 11.601 -1.385 1.00 0.00 C ATOM 215 C SER A 19 -3.550 10.297 -1.918 1.00 0.00 C ATOM 216 O SER A 19 -3.371 10.144 -3.129 1.00 0.00 O ATOM 217 CB SER A 19 -5.663 11.592 -1.481 1.00 0.00 C ATOM 218 OG SER A 19 -6.248 10.728 -0.521 1.00 0.00 O ATOM 0 H SER A 19 -4.148 12.910 -3.002 1.00 0.00 H new ATOM 0 HA SER A 19 -3.856 11.709 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.042 12.604 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.962 11.279 -2.481 1.00 0.00 H new ATOM 0 HG SER A 19 -7.223 10.750 -0.612 1.00 0.00 H new ATOM 224 N TRP A 20 -3.241 9.370 -1.023 1.00 0.00 N ATOM 225 CA TRP A 20 -2.593 8.135 -1.415 1.00 0.00 C ATOM 226 C TRP A 20 -3.585 6.984 -1.463 1.00 0.00 C ATOM 227 O TRP A 20 -4.295 6.716 -0.492 1.00 0.00 O ATOM 228 CB TRP A 20 -1.449 7.815 -0.454 1.00 0.00 C ATOM 229 CG TRP A 20 -0.409 8.891 -0.410 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.149 9.527 -1.481 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.206 9.455 0.753 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.066 10.455 -1.054 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.123 10.425 0.310 1.00 0.00 C ATOM 234 CE3 TRP A 20 0.075 9.232 2.128 1.00 0.00 C ATOM 235 CZ2 TRP A 20 1.898 11.173 1.186 1.00 0.00 C ATOM 236 CZ3 TRP A 20 0.849 9.976 2.997 1.00 0.00 C ATOM 237 CH2 TRP A 20 1.753 10.934 2.522 1.00 0.00 C ATOM 0 H TRP A 20 -3.429 9.453 -0.024 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.187 8.267 -2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.853 7.666 0.547 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.982 6.877 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.095 9.329 -2.514 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.615 11.067 -1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.618 8.493 2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.591 11.918 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.755 9.816 4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.348 11.495 3.227 1.00 0.00 H new ATOM 248 N TYR A 21 -3.633 6.315 -2.600 1.00 0.00 N ATOM 249 CA TYR A 21 -4.486 5.156 -2.768 1.00 0.00 C ATOM 250 C TYR A 21 -3.708 3.903 -2.411 1.00 0.00 C ATOM 251 O TYR A 21 -2.647 3.639 -2.979 1.00 0.00 O ATOM 252 CB TYR A 21 -4.993 5.075 -4.216 1.00 0.00 C ATOM 253 CG TYR A 21 -5.796 3.828 -4.518 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.109 3.704 -4.086 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.243 2.776 -5.240 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.845 2.567 -4.359 1.00 0.00 C ATOM 257 CE2 TYR A 21 -5.975 1.638 -5.519 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.276 1.538 -5.074 1.00 0.00 C ATOM 259 OH TYR A 21 -8.003 0.404 -5.344 1.00 0.00 O ATOM 0 H TYR A 21 -3.086 6.558 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.348 5.244 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.608 5.950 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.139 5.118 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.563 4.509 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.224 2.850 -5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.865 2.486 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.530 0.831 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.453 -0.223 -5.859 1.00 0.00 H new ATOM 269 N THR A 22 -4.219 3.148 -1.455 1.00 0.00 N ATOM 270 CA THR A 22 -3.565 1.932 -1.024 1.00 0.00 C ATOM 271 C THR A 22 -4.176 0.739 -1.748 1.00 0.00 C ATOM 272 O THR A 22 -5.256 0.265 -1.389 1.00 0.00 O ATOM 273 CB THR A 22 -3.696 1.741 0.496 1.00 0.00 C ATOM 274 OG1 THR A 22 -3.535 3.009 1.154 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.649 0.763 1.011 1.00 0.00 C ATOM 0 H THR A 22 -5.087 3.359 -0.963 1.00 0.00 H new ATOM 0 HA THR A 22 -2.505 2.007 -1.267 1.00 0.00 H new ATOM 0 HB THR A 22 -4.684 1.335 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.620 2.888 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.761 0.644 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.782 -0.203 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.653 1.147 0.790 1.00 0.00 H new ATOM 283 N GLY A 23 -3.506 0.292 -2.795 1.00 0.00 N ATOM 284 CA GLY A 23 -4.032 -0.785 -3.598 1.00 0.00 C ATOM 285 C GLY A 23 -3.453 -2.127 -3.214 1.00 0.00 C ATOM 286 O GLY A 23 -2.288 -2.225 -2.828 1.00 0.00 O ATOM 0 H GLY A 23 -2.605 0.657 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.116 -0.817 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.820 -0.588 -4.649 1.00 0.00 H new ATOM 290 N TYR A 24 -4.269 -3.160 -3.337 1.00 0.00 N ATOM 291 CA TYR A 24 -3.859 -4.511 -3.002 1.00 0.00 C ATOM 292 C TYR A 24 -4.297 -5.489 -4.088 1.00 0.00 C ATOM 293 O TYR A 24 -5.478 -5.567 -4.435 1.00 0.00 O ATOM 294 CB TYR A 24 -4.445 -4.910 -1.646 1.00 0.00 C ATOM 295 CG TYR A 24 -4.373 -6.391 -1.347 1.00 0.00 C ATOM 296 CD1 TYR A 24 -3.170 -7.000 -1.008 1.00 0.00 C ATOM 297 CD2 TYR A 24 -5.516 -7.181 -1.404 1.00 0.00 C ATOM 298 CE1 TYR A 24 -3.114 -8.354 -0.735 1.00 0.00 C ATOM 299 CE2 TYR A 24 -5.463 -8.533 -1.131 1.00 0.00 C ATOM 300 CZ TYR A 24 -4.259 -9.114 -0.798 1.00 0.00 C ATOM 301 OH TYR A 24 -4.204 -10.462 -0.531 1.00 0.00 O ATOM 0 H TYR A 24 -5.230 -3.086 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.771 -4.544 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.918 -4.367 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.487 -4.594 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.268 -6.408 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.461 -6.729 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.173 -8.814 -0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.360 -9.132 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.270 -10.734 -0.410 1.00 0.00 H new ATOM 311 N THR A 25 -3.331 -6.207 -4.636 1.00 0.00 N ATOM 312 CA THR A 25 -3.598 -7.251 -5.611 1.00 0.00 C ATOM 313 C THR A 25 -2.551 -8.347 -5.454 1.00 0.00 C ATOM 314 O THR A 25 -1.518 -8.124 -4.827 1.00 0.00 O ATOM 315 CB THR A 25 -3.591 -6.701 -7.060 1.00 0.00 C ATOM 316 OG1 THR A 25 -4.007 -7.719 -7.979 1.00 0.00 O ATOM 317 CG2 THR A 25 -2.208 -6.189 -7.457 1.00 0.00 C ATOM 0 H THR A 25 -2.342 -6.083 -4.418 1.00 0.00 H new ATOM 0 HA THR A 25 -4.594 -7.654 -5.428 1.00 0.00 H new ATOM 0 HB THR A 25 -4.290 -5.866 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.000 -7.359 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.240 -5.811 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.909 -5.387 -6.782 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.487 -7.004 -7.394 1.00 0.00 H new ATOM 325 N THR A 26 -2.817 -9.529 -5.979 1.00 0.00 N ATOM 326 CA THR A 26 -1.854 -10.611 -5.905 1.00 0.00 C ATOM 327 C THR A 26 -2.056 -11.585 -7.064 1.00 0.00 C ATOM 328 O THR A 26 -2.862 -12.514 -7.002 1.00 0.00 O ATOM 329 CB THR A 26 -1.909 -11.325 -4.528 1.00 0.00 C ATOM 330 OG1 THR A 26 -0.976 -12.405 -4.482 1.00 0.00 O ATOM 331 CG2 THR A 26 -3.306 -11.836 -4.194 1.00 0.00 C ATOM 0 H THR A 26 -3.686 -9.763 -6.458 1.00 0.00 H new ATOM 0 HA THR A 26 -0.854 -10.188 -5.998 1.00 0.00 H new ATOM 0 HB THR A 26 -1.641 -10.581 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.133 -12.939 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.291 -12.327 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.003 -10.998 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.625 -12.548 -4.955 1.00 0.00 H new ATOM 351 N VAL A 28 -0.067 -13.627 -10.529 1.00 0.00 N ATOM 352 CA VAL A 28 1.063 -14.022 -11.366 1.00 0.00 C ATOM 353 C VAL A 28 1.072 -13.220 -12.679 1.00 0.00 C ATOM 354 O VAL A 28 2.061 -13.212 -13.415 1.00 0.00 O ATOM 355 CB VAL A 28 1.030 -15.542 -11.668 1.00 0.00 C ATOM 356 CG1 VAL A 28 -0.150 -15.899 -12.561 1.00 0.00 C ATOM 357 CG2 VAL A 28 2.346 -16.010 -12.282 1.00 0.00 C ATOM 0 HA VAL A 28 1.978 -13.803 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 28 0.900 -16.066 -10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.147 -16.971 -12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.080 -15.623 -12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.069 -15.359 -13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.294 -17.080 -12.483 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.524 -15.474 -13.214 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.162 -15.811 -11.588 1.00 0.00 H new ATOM 367 N ASP A 29 -0.035 -12.534 -12.954 1.00 0.00 N ATOM 368 CA ASP A 29 -0.220 -11.834 -14.221 1.00 0.00 C ATOM 369 C ASP A 29 0.744 -10.659 -14.333 1.00 0.00 C ATOM 370 O ASP A 29 1.301 -10.404 -15.399 1.00 0.00 O ATOM 371 CB ASP A 29 -1.669 -11.365 -14.356 1.00 0.00 C ATOM 372 CG ASP A 29 -2.032 -11.023 -15.787 1.00 0.00 C ATOM 373 OD1 ASP A 29 -2.148 -11.955 -16.617 1.00 0.00 O ATOM 374 OD2 ASP A 29 -2.203 -9.832 -16.100 1.00 0.00 O ATOM 0 H ASP A 29 -0.822 -12.448 -12.311 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.003 -12.524 -15.036 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.337 -12.145 -13.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.826 -10.490 -13.725 1.00 0.00 H new ATOM 379 N ARG A 30 0.947 -9.953 -13.228 1.00 0.00 N ATOM 380 CA ARG A 30 1.949 -8.891 -13.164 1.00 0.00 C ATOM 381 C ARG A 30 3.328 -9.414 -13.591 1.00 0.00 C ATOM 382 O ARG A 30 4.089 -8.722 -14.269 1.00 0.00 O ATOM 383 CB ARG A 30 2.022 -8.319 -11.744 1.00 0.00 C ATOM 384 CG ARG A 30 3.031 -7.195 -11.579 1.00 0.00 C ATOM 385 CD ARG A 30 3.232 -6.848 -10.114 1.00 0.00 C ATOM 386 NE ARG A 30 4.387 -5.976 -9.901 1.00 0.00 N ATOM 387 CZ ARG A 30 5.570 -6.400 -9.457 1.00 0.00 C ATOM 388 NH1 ARG A 30 5.765 -7.690 -9.208 1.00 0.00 N ATOM 389 NH2 ARG A 30 6.557 -5.539 -9.270 1.00 0.00 N ATOM 0 H ARG A 30 0.430 -10.096 -12.360 1.00 0.00 H new ATOM 0 HA ARG A 30 1.653 -8.100 -13.853 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.036 -7.952 -11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.274 -9.123 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.983 -7.490 -12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.689 -6.313 -12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.336 -6.359 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.362 -7.766 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 30 4.280 -4.982 -10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.009 -8.358 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.671 -8.013 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.413 -4.548 -9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.461 -5.866 -8.930 1.00 0.00 H new ATOM 403 N ARG A 31 3.632 -10.649 -13.203 1.00 0.00 N ATOM 404 CA ARG A 31 4.902 -11.281 -13.547 1.00 0.00 C ATOM 405 C ARG A 31 5.014 -11.527 -15.051 1.00 0.00 C ATOM 406 O ARG A 31 5.982 -11.100 -15.690 1.00 0.00 O ATOM 407 CB ARG A 31 5.063 -12.600 -12.792 1.00 0.00 C ATOM 408 CG ARG A 31 5.790 -12.468 -11.464 1.00 0.00 C ATOM 409 CD ARG A 31 7.224 -12.009 -11.676 1.00 0.00 C ATOM 410 NE ARG A 31 8.050 -12.196 -10.483 1.00 0.00 N ATOM 411 CZ ARG A 31 9.266 -12.740 -10.512 1.00 0.00 C ATOM 412 NH1 ARG A 31 9.771 -13.167 -11.663 1.00 0.00 N ATOM 413 NH2 ARG A 31 9.979 -12.865 -9.401 1.00 0.00 N ATOM 0 H ARG A 31 3.011 -11.236 -12.646 1.00 0.00 H new ATOM 0 HA ARG A 31 5.700 -10.599 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.076 -13.027 -12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.606 -13.304 -13.423 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.266 -11.756 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.783 -13.426 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.661 -12.562 -12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.228 -10.956 -11.956 1.00 0.00 H new ATOM 0 HE ARG A 31 7.676 -11.895 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.228 -13.078 -12.522 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.702 -13.584 -11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.598 -12.543 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.909 -13.283 -9.436 1.00 0.00 H new ATOM 427 N ILE A 32 4.033 -12.227 -15.613 1.00 0.00 N ATOM 428 CA ILE A 32 4.044 -12.535 -17.039 1.00 0.00 C ATOM 429 C ILE A 32 4.004 -11.253 -17.877 1.00 0.00 C ATOM 430 O ILE A 32 4.570 -11.203 -18.970 1.00 0.00 O ATOM 431 CB ILE A 32 2.894 -13.494 -17.443 1.00 0.00 C ATOM 432 CG1 ILE A 32 2.985 -13.844 -18.932 1.00 0.00 C ATOM 433 CG2 ILE A 32 1.535 -12.894 -17.120 1.00 0.00 C ATOM 434 CD1 ILE A 32 1.937 -14.833 -19.393 1.00 0.00 C ATOM 0 H ILE A 32 3.225 -12.590 -15.106 1.00 0.00 H new ATOM 0 HA ILE A 32 4.980 -13.054 -17.244 1.00 0.00 H new ATOM 0 HB ILE A 32 3.003 -14.409 -16.861 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.890 -12.929 -19.517 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.974 -14.254 -19.139 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.750 -13.591 -17.415 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.467 -12.703 -16.049 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.412 -11.957 -17.664 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.066 -15.031 -20.457 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.045 -15.763 -18.836 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.944 -14.419 -19.219 1.00 0.00 H new ATOM 446 N LYS A 33 3.344 -10.215 -17.357 1.00 0.00 N ATOM 447 CA LYS A 33 3.320 -8.913 -18.022 1.00 0.00 C ATOM 448 C LYS A 33 4.725 -8.343 -18.159 1.00 0.00 C ATOM 449 O LYS A 33 5.071 -7.788 -19.197 1.00 0.00 O ATOM 450 CB LYS A 33 2.422 -7.917 -17.282 1.00 0.00 C ATOM 451 CG LYS A 33 1.069 -7.719 -17.950 1.00 0.00 C ATOM 452 CD LYS A 33 0.277 -9.012 -18.004 1.00 0.00 C ATOM 453 CE LYS A 33 -1.019 -8.850 -18.783 1.00 0.00 C ATOM 454 NZ LYS A 33 -1.859 -10.070 -18.710 1.00 0.00 N ATOM 0 H LYS A 33 2.822 -10.252 -16.482 1.00 0.00 H new ATOM 0 HA LYS A 33 2.905 -9.071 -19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.268 -8.266 -16.261 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.932 -6.956 -17.217 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.500 -6.966 -17.404 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.214 -7.338 -18.961 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.884 -9.791 -18.466 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.052 -9.343 -16.990 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.577 -8.000 -18.389 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.792 -8.627 -19.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.497 -10.102 -19.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.249 -10.912 -18.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.422 -10.052 -17.835 1.00 0.00 H new ATOM 468 N LYS A 34 5.530 -8.496 -17.113 1.00 0.00 N ATOM 469 CA LYS A 34 6.924 -8.061 -17.146 1.00 0.00 C ATOM 470 C LYS A 34 7.657 -8.728 -18.308 1.00 0.00 C ATOM 471 O LYS A 34 8.368 -8.074 -19.075 1.00 0.00 O ATOM 472 CB LYS A 34 7.604 -8.397 -15.810 1.00 0.00 C ATOM 473 CG LYS A 34 9.100 -8.114 -15.779 1.00 0.00 C ATOM 474 CD LYS A 34 9.687 -8.386 -14.399 1.00 0.00 C ATOM 475 CE LYS A 34 11.202 -8.254 -14.394 1.00 0.00 C ATOM 476 NZ LYS A 34 11.865 -9.368 -15.123 1.00 0.00 N ATOM 0 H LYS A 34 5.242 -8.918 -16.230 1.00 0.00 H new ATOM 0 HA LYS A 34 6.960 -6.982 -17.295 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.122 -7.826 -15.017 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.441 -9.452 -15.588 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.605 -8.734 -16.520 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.282 -7.075 -16.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.259 -7.689 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.408 -9.389 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.484 -7.305 -14.850 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.560 -8.232 -13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.892 -9.323 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.501 -10.277 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.666 -9.284 -16.140 1.00 0.00 H new ATOM 490 N HIS A 35 7.453 -10.032 -18.445 1.00 0.00 N ATOM 491 CA HIS A 35 8.065 -10.795 -19.530 1.00 0.00 C ATOM 492 C HIS A 35 7.495 -10.369 -20.883 1.00 0.00 C ATOM 493 O HIS A 35 8.240 -10.063 -21.812 1.00 0.00 O ATOM 494 CB HIS A 35 7.854 -12.298 -19.300 1.00 0.00 C ATOM 495 CG HIS A 35 8.354 -13.168 -20.415 1.00 0.00 C ATOM 496 ND1 HIS A 35 9.688 -13.432 -20.629 1.00 0.00 N ATOM 497 CD2 HIS A 35 7.683 -13.841 -21.380 1.00 0.00 C ATOM 498 CE1 HIS A 35 9.814 -14.226 -21.675 1.00 0.00 C ATOM 499 NE2 HIS A 35 8.615 -14.492 -22.148 1.00 0.00 N ATOM 0 H HIS A 35 6.868 -10.585 -17.819 1.00 0.00 H new ATOM 0 HA HIS A 35 9.135 -10.590 -19.539 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.356 -12.587 -18.376 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.790 -12.486 -19.157 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.612 -13.861 -21.519 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.746 -14.596 -22.076 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.412 -15.085 -22.953 1.00 0.00 H new ATOM 508 N ALA A 36 6.172 -10.349 -20.983 1.00 0.00 N ATOM 509 CA ALA A 36 5.490 -10.012 -22.229 1.00 0.00 C ATOM 510 C ALA A 36 5.820 -8.598 -22.699 1.00 0.00 C ATOM 511 O ALA A 36 6.020 -8.362 -23.891 1.00 0.00 O ATOM 512 CB ALA A 36 3.987 -10.174 -22.067 1.00 0.00 C ATOM 0 H ALA A 36 5.544 -10.564 -20.209 1.00 0.00 H new ATOM 0 HA ALA A 36 5.848 -10.702 -22.993 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.491 -9.919 -23.003 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.759 -11.207 -21.804 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.633 -9.512 -21.277 1.00 0.00 H new ATOM 518 N SER A 37 5.867 -7.665 -21.761 1.00 0.00 N ATOM 519 CA SER A 37 6.131 -6.270 -22.078 1.00 0.00 C ATOM 520 C SER A 37 7.603 -6.054 -22.389 1.00 0.00 C ATOM 521 O SER A 37 7.960 -5.085 -23.054 1.00 0.00 O ATOM 522 CB SER A 37 5.734 -5.368 -20.908 1.00 0.00 C ATOM 523 OG SER A 37 5.567 -4.024 -21.332 1.00 0.00 O ATOM 0 H SER A 37 5.725 -7.850 -20.768 1.00 0.00 H new ATOM 0 HA SER A 37 5.537 -6.014 -22.955 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.807 -5.730 -20.464 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.499 -5.416 -20.133 1.00 0.00 H new ATOM 0 HG SER A 37 5.312 -3.469 -20.566 1.00 0.00 H new ATOM 708 N PHE A 50 -1.060 9.679 -11.258 1.00 0.00 N ATOM 709 CA PHE A 50 -0.731 8.710 -10.226 1.00 0.00 C ATOM 710 C PHE A 50 0.773 8.646 -10.020 1.00 0.00 C ATOM 711 O PHE A 50 1.492 8.045 -10.816 1.00 0.00 O ATOM 712 CB PHE A 50 -1.259 7.317 -10.593 1.00 0.00 C ATOM 713 CG PHE A 50 -2.757 7.227 -10.673 1.00 0.00 C ATOM 714 CD1 PHE A 50 -3.513 7.062 -9.524 1.00 0.00 C ATOM 715 CD2 PHE A 50 -3.407 7.302 -11.895 1.00 0.00 C ATOM 716 CE1 PHE A 50 -4.890 6.974 -9.593 1.00 0.00 C ATOM 717 CE2 PHE A 50 -4.783 7.214 -11.968 1.00 0.00 C ATOM 718 CZ PHE A 50 -5.525 7.050 -10.817 1.00 0.00 C ATOM 0 HA PHE A 50 -1.208 9.032 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.837 7.022 -11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.902 6.599 -9.854 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.021 7.002 -8.565 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.831 7.431 -12.800 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.469 6.846 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.278 7.274 -12.926 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.601 6.981 -10.873 1.00 0.00 H new ATOM 728 N ARG A 51 1.251 9.287 -8.966 1.00 0.00 N ATOM 729 CA ARG A 51 2.666 9.242 -8.637 1.00 0.00 C ATOM 730 C ARG A 51 2.910 8.140 -7.622 1.00 0.00 C ATOM 731 O ARG A 51 2.447 8.216 -6.488 1.00 0.00 O ATOM 732 CB ARG A 51 3.149 10.589 -8.092 1.00 0.00 C ATOM 733 CG ARG A 51 2.881 11.755 -9.035 1.00 0.00 C ATOM 734 CD ARG A 51 3.622 13.014 -8.611 1.00 0.00 C ATOM 735 NE ARG A 51 3.262 13.455 -7.264 1.00 0.00 N ATOM 736 CZ ARG A 51 3.254 14.728 -6.868 1.00 0.00 C ATOM 737 NH1 ARG A 51 3.602 15.695 -7.707 1.00 0.00 N ATOM 738 NH2 ARG A 51 2.930 15.026 -5.620 1.00 0.00 N ATOM 0 H ARG A 51 0.683 9.842 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 51 3.232 9.032 -9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.659 10.783 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.219 10.530 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.182 11.480 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.810 11.958 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.696 12.830 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.407 13.813 -9.320 1.00 0.00 H new ATOM 0 HE ARG A 51 3.000 12.742 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.878 15.467 -8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.593 16.667 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.688 14.283 -4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.923 15.999 -5.313 1.00 0.00 H new ATOM 752 N LEU A 52 3.614 7.104 -8.036 1.00 0.00 N ATOM 753 CA LEU A 52 3.845 5.961 -7.171 1.00 0.00 C ATOM 754 C LEU A 52 4.780 6.342 -6.027 1.00 0.00 C ATOM 755 O LEU A 52 5.911 6.772 -6.249 1.00 0.00 O ATOM 756 CB LEU A 52 4.406 4.787 -7.976 1.00 0.00 C ATOM 757 CG LEU A 52 4.539 3.470 -7.211 1.00 0.00 C ATOM 758 CD1 LEU A 52 4.155 2.305 -8.107 1.00 0.00 C ATOM 759 CD2 LEU A 52 5.961 3.290 -6.696 1.00 0.00 C ATOM 0 H LEU A 52 4.035 7.029 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 52 2.894 5.648 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.763 4.622 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.388 5.067 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 52 3.864 3.497 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.253 1.372 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.123 2.424 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.813 2.282 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.035 2.347 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.654 3.281 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.213 4.113 -6.027 1.00 0.00 H new ATOM 771 N VAL A 53 4.280 6.206 -4.808 1.00 0.00 N ATOM 772 CA VAL A 53 5.048 6.547 -3.622 1.00 0.00 C ATOM 773 C VAL A 53 5.894 5.357 -3.187 1.00 0.00 C ATOM 774 O VAL A 53 7.113 5.469 -3.046 1.00 0.00 O ATOM 775 CB VAL A 53 4.125 6.989 -2.461 1.00 0.00 C ATOM 776 CG1 VAL A 53 4.926 7.394 -1.232 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.224 8.128 -2.909 1.00 0.00 C ATOM 0 H VAL A 53 3.340 5.860 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 53 5.700 7.383 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 53 3.506 6.136 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.245 7.698 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.524 6.548 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.584 8.226 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.580 8.429 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.836 8.975 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.609 7.798 -3.746 1.00 0.00 H new ATOM 787 N ALA A 54 5.241 4.217 -2.987 1.00 0.00 N ATOM 788 CA ALA A 54 5.938 2.988 -2.631 1.00 0.00 C ATOM 789 C ALA A 54 5.122 1.772 -3.045 1.00 0.00 C ATOM 790 O ALA A 54 3.929 1.887 -3.336 1.00 0.00 O ATOM 791 CB ALA A 54 6.233 2.943 -1.141 1.00 0.00 C ATOM 0 H ALA A 54 4.229 4.119 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 54 6.887 2.971 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.754 2.016 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.860 3.792 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.298 2.989 -0.583 1.00 0.00 H new ATOM 797 N THR A 55 5.768 0.616 -3.079 1.00 0.00 N ATOM 798 CA THR A 55 5.115 -0.625 -3.463 1.00 0.00 C ATOM 799 C THR A 55 5.829 -1.814 -2.823 1.00 0.00 C ATOM 800 O THR A 55 7.050 -1.938 -2.921 1.00 0.00 O ATOM 801 CB THR A 55 5.096 -0.796 -4.996 1.00 0.00 C ATOM 802 OG1 THR A 55 4.493 0.354 -5.601 1.00 0.00 O ATOM 803 CG2 THR A 55 4.324 -2.043 -5.396 1.00 0.00 C ATOM 0 H THR A 55 6.755 0.512 -2.842 1.00 0.00 H new ATOM 0 HA THR A 55 4.085 -0.584 -3.109 1.00 0.00 H new ATOM 0 HB THR A 55 6.124 -0.901 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.621 0.108 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.326 -2.140 -6.482 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.795 -2.920 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.297 -1.964 -5.041 1.00 0.00 H new ATOM 811 N TRP A 56 5.067 -2.663 -2.153 1.00 0.00 N ATOM 812 CA TRP A 56 5.625 -3.819 -1.465 1.00 0.00 C ATOM 813 C TRP A 56 5.048 -5.110 -2.033 1.00 0.00 C ATOM 814 O TRP A 56 3.971 -5.105 -2.626 1.00 0.00 O ATOM 815 CB TRP A 56 5.327 -3.734 0.031 1.00 0.00 C ATOM 816 CG TRP A 56 5.896 -2.515 0.687 1.00 0.00 C ATOM 817 CD1 TRP A 56 7.136 -2.386 1.241 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.245 -1.249 0.859 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.298 -1.121 1.750 1.00 0.00 N ATOM 820 CE2 TRP A 56 6.152 -0.405 1.529 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.987 -0.746 0.514 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.838 0.911 1.861 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.678 0.560 0.844 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.601 1.374 1.510 1.00 0.00 C ATOM 0 H TRP A 56 4.054 -2.574 -2.070 1.00 0.00 H new ATOM 0 HA TRP A 56 6.704 -3.821 -1.616 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.247 -3.745 0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.726 -4.621 0.523 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.882 -3.166 1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.135 -0.772 2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.269 -1.367 -0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.546 1.542 2.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.709 0.959 0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.330 2.391 1.752 1.00 0.00 H new ATOM 835 N ALA A 57 5.762 -6.210 -1.844 1.00 0.00 N ATOM 836 CA ALA A 57 5.305 -7.508 -2.320 1.00 0.00 C ATOM 837 C ALA A 57 5.581 -8.592 -1.285 1.00 0.00 C ATOM 838 O ALA A 57 6.736 -8.922 -1.014 1.00 0.00 O ATOM 839 CB ALA A 57 5.970 -7.860 -3.645 1.00 0.00 C ATOM 0 H ALA A 57 6.662 -6.230 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 57 4.228 -7.449 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.615 -8.833 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.720 -7.104 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.051 -7.895 -3.512 1.00 0.00 H new ATOM 845 N PHE A 58 4.519 -9.134 -0.702 1.00 0.00 N ATOM 846 CA PHE A 58 4.645 -10.189 0.297 1.00 0.00 C ATOM 847 C PHE A 58 3.984 -11.467 -0.206 1.00 0.00 C ATOM 848 O PHE A 58 2.845 -11.443 -0.663 1.00 0.00 O ATOM 849 CB PHE A 58 4.000 -9.762 1.621 1.00 0.00 C ATOM 850 CG PHE A 58 4.480 -8.433 2.130 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.700 -8.327 2.781 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.715 -7.290 1.959 1.00 0.00 C ATOM 853 CE1 PHE A 58 6.146 -7.108 3.251 1.00 0.00 C ATOM 854 CE2 PHE A 58 4.157 -6.067 2.427 1.00 0.00 C ATOM 855 CZ PHE A 58 5.376 -5.977 3.073 1.00 0.00 C ATOM 0 H PHE A 58 3.558 -8.860 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 58 5.706 -10.373 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.919 -9.721 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.202 -10.523 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.308 -9.208 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.762 -7.356 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.097 -7.040 3.758 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.551 -5.184 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.725 -5.022 3.438 1.00 0.00 H new ATOM 865 N PRO A 59 4.695 -12.599 -0.147 1.00 0.00 N ATOM 866 CA PRO A 59 4.166 -13.889 -0.591 1.00 0.00 C ATOM 867 C PRO A 59 3.126 -14.449 0.380 1.00 0.00 C ATOM 868 O PRO A 59 2.349 -15.339 0.030 1.00 0.00 O ATOM 869 CB PRO A 59 5.401 -14.804 -0.633 1.00 0.00 C ATOM 870 CG PRO A 59 6.581 -13.910 -0.417 1.00 0.00 C ATOM 871 CD PRO A 59 6.074 -12.719 0.339 1.00 0.00 C ATOM 0 HA PRO A 59 3.656 -13.805 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.345 -15.571 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.472 -15.320 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.361 -14.424 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.020 -13.609 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.112 -12.876 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.659 -11.824 0.126 1.00 0.00 H new ATOM 879 N SER A 60 3.102 -13.905 1.588 1.00 0.00 N ATOM 880 CA SER A 60 2.238 -14.405 2.642 1.00 0.00 C ATOM 881 C SER A 60 0.845 -13.783 2.545 1.00 0.00 C ATOM 882 O SER A 60 0.701 -12.557 2.539 1.00 0.00 O ATOM 883 CB SER A 60 2.872 -14.106 4.002 1.00 0.00 C ATOM 884 OG SER A 60 4.226 -14.529 4.030 1.00 0.00 O ATOM 0 H SER A 60 3.678 -13.109 1.862 1.00 0.00 H new ATOM 0 HA SER A 60 2.126 -15.483 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.816 -13.037 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.312 -14.612 4.789 1.00 0.00 H new ATOM 0 HG SER A 60 4.614 -14.327 4.907 1.00 0.00 H new ATOM 890 N LYS A 61 -0.172 -14.636 2.457 1.00 0.00 N ATOM 891 CA LYS A 61 -1.559 -14.191 2.345 1.00 0.00 C ATOM 892 C LYS A 61 -1.978 -13.373 3.563 1.00 0.00 C ATOM 893 O LYS A 61 -2.438 -12.238 3.434 1.00 0.00 O ATOM 894 CB LYS A 61 -2.493 -15.396 2.195 1.00 0.00 C ATOM 895 CG LYS A 61 -3.955 -15.015 2.021 1.00 0.00 C ATOM 896 CD LYS A 61 -4.863 -16.228 2.102 1.00 0.00 C ATOM 897 CE LYS A 61 -6.314 -15.852 1.832 1.00 0.00 C ATOM 898 NZ LYS A 61 -7.245 -16.995 2.049 1.00 0.00 N ATOM 0 H LYS A 61 -0.060 -15.650 2.461 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.633 -13.559 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.175 -15.987 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.394 -16.033 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.238 -14.296 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.091 -14.522 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.539 -16.977 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.780 -16.682 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.600 -15.025 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.410 -15.498 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.220 -16.691 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.991 -17.776 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.175 -17.318 3.035 1.00 0.00 H new ATOM 912 N GLU A 62 -1.801 -13.958 4.739 1.00 0.00 N ATOM 913 CA GLU A 62 -2.249 -13.354 5.981 1.00 0.00 C ATOM 914 C GLU A 62 -1.478 -12.077 6.288 1.00 0.00 C ATOM 915 O GLU A 62 -2.029 -11.130 6.850 1.00 0.00 O ATOM 916 CB GLU A 62 -2.128 -14.345 7.149 1.00 0.00 C ATOM 917 CG GLU A 62 -0.724 -14.895 7.384 1.00 0.00 C ATOM 918 CD GLU A 62 -0.325 -15.954 6.377 1.00 0.00 C ATOM 919 OE1 GLU A 62 -0.621 -17.144 6.614 1.00 0.00 O ATOM 920 OE2 GLU A 62 0.266 -15.602 5.338 1.00 0.00 O ATOM 0 H GLU A 62 -1.344 -14.862 4.857 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.300 -13.092 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.466 -13.852 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.804 -15.181 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.007 -14.075 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.669 -15.317 8.387 1.00 0.00 H new ATOM 927 N GLU A 63 -0.212 -12.048 5.896 1.00 0.00 N ATOM 928 CA GLU A 63 0.641 -10.905 6.163 1.00 0.00 C ATOM 929 C GLU A 63 0.179 -9.704 5.343 1.00 0.00 C ATOM 930 O GLU A 63 0.105 -8.586 5.850 1.00 0.00 O ATOM 931 CB GLU A 63 2.095 -11.260 5.848 1.00 0.00 C ATOM 932 CG GLU A 63 3.098 -10.188 6.230 1.00 0.00 C ATOM 933 CD GLU A 63 4.513 -10.721 6.259 1.00 0.00 C ATOM 934 OE1 GLU A 63 5.111 -10.911 5.180 1.00 0.00 O ATOM 935 OE2 GLU A 63 5.026 -10.986 7.367 1.00 0.00 O ATOM 0 H GLU A 63 0.246 -12.807 5.391 1.00 0.00 H new ATOM 0 HA GLU A 63 0.573 -10.640 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.352 -12.183 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.184 -11.460 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.036 -9.363 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.842 -9.785 7.210 1.00 0.00 H new ATOM 942 N ALA A 64 -0.159 -9.949 4.084 1.00 0.00 N ATOM 943 CA ALA A 64 -0.639 -8.896 3.200 1.00 0.00 C ATOM 944 C ALA A 64 -2.033 -8.426 3.609 1.00 0.00 C ATOM 945 O ALA A 64 -2.350 -7.242 3.505 1.00 0.00 O ATOM 946 CB ALA A 64 -0.643 -9.378 1.765 1.00 0.00 C ATOM 0 H ALA A 64 -0.109 -10.871 3.651 1.00 0.00 H new ATOM 0 HA ALA A 64 0.039 -8.047 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.004 -8.581 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.369 -9.655 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.297 -10.245 1.674 1.00 0.00 H new ATOM 952 N MET A 65 -2.858 -9.364 4.072 1.00 0.00 N ATOM 953 CA MET A 65 -4.202 -9.036 4.540 1.00 0.00 C ATOM 954 C MET A 65 -4.125 -8.094 5.735 1.00 0.00 C ATOM 955 O MET A 65 -4.812 -7.073 5.787 1.00 0.00 O ATOM 956 CB MET A 65 -4.964 -10.310 4.915 1.00 0.00 C ATOM 957 CG MET A 65 -6.382 -10.052 5.403 1.00 0.00 C ATOM 958 SD MET A 65 -7.426 -9.279 4.149 1.00 0.00 S ATOM 959 CE MET A 65 -7.384 -10.520 2.855 1.00 0.00 C ATOM 0 H MET A 65 -2.620 -10.354 4.133 1.00 0.00 H new ATOM 0 HA MET A 65 -4.740 -8.537 3.734 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.002 -10.969 4.048 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.412 -10.838 5.693 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.832 -10.995 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.347 -9.412 6.284 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.211 -10.354 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.440 -10.450 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.475 -11.511 3.299 1.00 0.00 H new ATOM 969 N ARG A 66 -3.266 -8.443 6.687 1.00 0.00 N ATOM 970 CA ARG A 66 -3.004 -7.593 7.840 1.00 0.00 C ATOM 971 C ARG A 66 -2.450 -6.250 7.394 1.00 0.00 C ATOM 972 O ARG A 66 -2.873 -5.200 7.878 1.00 0.00 O ATOM 973 CB ARG A 66 -2.001 -8.270 8.773 1.00 0.00 C ATOM 974 CG ARG A 66 -2.585 -9.407 9.592 1.00 0.00 C ATOM 975 CD ARG A 66 -3.536 -8.885 10.654 1.00 0.00 C ATOM 976 NE ARG A 66 -2.895 -7.887 11.507 1.00 0.00 N ATOM 977 CZ ARG A 66 -2.945 -7.887 12.837 1.00 0.00 C ATOM 978 NH1 ARG A 66 -3.613 -8.831 13.493 1.00 0.00 N ATOM 979 NH2 ARG A 66 -2.313 -6.935 13.508 1.00 0.00 N ATOM 0 H ARG A 66 -2.737 -9.315 6.681 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.943 -7.433 8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.171 -8.653 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.590 -7.522 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.113 -10.098 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.780 -9.969 10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.412 -8.447 10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.889 -9.715 11.266 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.373 -7.138 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.095 -9.567 12.977 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.643 -8.819 14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.796 -6.214 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.343 -6.923 14.527 1.00 0.00 H new ATOM 993 N TRP A 67 -1.516 -6.306 6.454 1.00 0.00 N ATOM 994 CA TRP A 67 -0.823 -5.123 5.967 1.00 0.00 C ATOM 995 C TRP A 67 -1.797 -4.082 5.428 1.00 0.00 C ATOM 996 O TRP A 67 -1.843 -2.960 5.932 1.00 0.00 O ATOM 997 CB TRP A 67 0.178 -5.510 4.878 1.00 0.00 C ATOM 998 CG TRP A 67 1.523 -4.887 5.072 1.00 0.00 C ATOM 999 CD1 TRP A 67 2.565 -5.397 5.789 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.971 -3.636 4.543 1.00 0.00 C ATOM 1001 NE1 TRP A 67 3.634 -4.533 5.744 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.292 -3.445 4.986 1.00 0.00 C ATOM 1003 CE3 TRP A 67 1.380 -2.657 3.742 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 4.035 -2.318 4.649 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 2.117 -1.537 3.410 1.00 0.00 C ATOM 1006 CH2 TRP A 67 3.431 -1.375 3.864 1.00 0.00 C ATOM 0 H TRP A 67 -1.218 -7.174 6.008 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.292 -4.681 6.810 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.285 -6.595 4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.217 -5.213 3.907 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.553 -6.340 6.315 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.534 -4.679 6.201 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.366 -2.773 3.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 5.051 -2.193 4.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.672 -0.773 2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.980 -0.486 3.589 1.00 0.00 H new ATOM 1017 N GLU A 68 -2.581 -4.457 4.416 1.00 0.00 N ATOM 1018 CA GLU A 68 -3.522 -3.523 3.797 1.00 0.00 C ATOM 1019 C GLU A 68 -4.458 -2.941 4.844 1.00 0.00 C ATOM 1020 O GLU A 68 -4.575 -1.723 4.981 1.00 0.00 O ATOM 1021 CB GLU A 68 -4.364 -4.210 2.722 1.00 0.00 C ATOM 1022 CG GLU A 68 -5.180 -3.229 1.893 1.00 0.00 C ATOM 1023 CD GLU A 68 -6.536 -3.768 1.483 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -7.463 -3.749 2.321 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.697 -4.177 0.314 1.00 0.00 O ATOM 0 H GLU A 68 -2.584 -5.393 4.010 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.933 -2.730 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.708 -4.778 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.037 -4.925 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.320 -2.311 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.617 -2.965 0.998 1.00 0.00 H new ATOM 1032 N TYR A 69 -5.100 -3.831 5.587 1.00 0.00 N ATOM 1033 CA TYR A 69 -6.077 -3.444 6.596 1.00 0.00 C ATOM 1034 C TYR A 69 -5.488 -2.448 7.597 1.00 0.00 C ATOM 1035 O TYR A 69 -6.055 -1.373 7.823 1.00 0.00 O ATOM 1036 CB TYR A 69 -6.579 -4.690 7.331 1.00 0.00 C ATOM 1037 CG TYR A 69 -7.639 -4.403 8.368 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.955 -4.158 7.996 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -7.326 -4.387 9.721 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.925 -3.905 8.943 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -8.292 -4.134 10.672 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.590 -3.894 10.280 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.556 -3.647 11.229 1.00 0.00 O ATOM 0 H TYR A 69 -4.960 -4.838 5.508 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.909 -2.954 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.980 -5.394 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.734 -5.179 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.222 -4.166 6.950 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.310 -4.576 10.033 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.944 -3.716 8.638 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.032 -4.124 11.720 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.153 -3.677 12.122 1.00 0.00 H new ATOM 1053 N GLU A 70 -4.350 -2.798 8.185 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.735 -1.954 9.198 1.00 0.00 C ATOM 1055 C GLU A 70 -3.320 -0.607 8.620 1.00 0.00 C ATOM 1056 O GLU A 70 -3.596 0.430 9.220 1.00 0.00 O ATOM 1057 CB GLU A 70 -2.545 -2.658 9.850 1.00 0.00 C ATOM 1058 CG GLU A 70 -2.962 -3.787 10.780 1.00 0.00 C ATOM 1059 CD GLU A 70 -1.790 -4.442 11.475 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -1.193 -3.807 12.373 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -1.464 -5.597 11.141 1.00 0.00 O ATOM 0 H GLU A 70 -3.838 -3.656 7.978 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.482 -1.768 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.894 -3.057 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.961 -1.929 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.651 -3.397 11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.505 -4.539 10.208 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.696 -0.621 7.447 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.282 0.618 6.785 1.00 0.00 C ATOM 1070 C VAL A 71 -3.496 1.467 6.423 1.00 0.00 C ATOM 1071 O VAL A 71 -3.462 2.694 6.513 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.446 0.336 5.517 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.124 1.621 4.770 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -0.167 -0.393 5.887 1.00 0.00 C ATOM 0 H VAL A 71 -2.465 -1.472 6.934 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.657 1.167 7.490 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.038 -0.296 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.535 1.388 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.051 2.111 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.555 2.286 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.415 -0.587 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.418 0.222 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.414 -1.338 6.370 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.572 0.797 6.037 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.823 1.456 5.698 1.00 0.00 C ATOM 1086 C LYS A 72 -6.312 2.356 6.834 1.00 0.00 C ATOM 1087 O LYS A 72 -6.780 3.467 6.592 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.880 0.405 5.354 1.00 0.00 C ATOM 1089 CG LYS A 72 -8.288 0.951 5.227 1.00 0.00 C ATOM 1090 CD LYS A 72 -9.255 -0.123 4.762 1.00 0.00 C ATOM 1091 CE LYS A 72 -10.699 0.344 4.839 1.00 0.00 C ATOM 1092 NZ LYS A 72 -10.921 1.626 4.122 1.00 0.00 N ATOM 0 H LYS A 72 -4.602 -0.219 5.950 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.649 2.093 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.604 -0.076 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.871 -0.367 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.615 1.347 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.296 1.781 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.019 -0.405 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.129 -1.015 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.348 -0.422 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.984 0.462 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.940 1.833 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.429 2.393 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.550 1.551 3.153 1.00 0.00 H new ATOM 1106 N HIS A 73 -6.205 1.881 8.073 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.639 2.681 9.220 1.00 0.00 C ATOM 1108 C HIS A 73 -5.464 3.352 9.938 1.00 0.00 C ATOM 1109 O HIS A 73 -5.639 3.916 11.017 1.00 0.00 O ATOM 1110 CB HIS A 73 -7.496 1.869 10.209 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.829 0.677 10.819 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -5.978 0.747 11.902 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -6.924 -0.636 10.509 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -5.576 -0.467 12.223 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -6.136 -1.326 11.395 1.00 0.00 N ATOM 0 H HIS A 73 -5.829 0.963 8.308 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.270 3.471 8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.818 2.532 11.012 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.395 1.534 9.692 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.512 -1.063 9.710 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.901 -0.716 13.029 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.005 -2.337 11.410 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.265 3.272 9.362 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.098 3.938 9.949 1.00 0.00 C ATOM 1126 C LEU A 74 -3.297 5.452 9.995 1.00 0.00 C ATOM 1127 O LEU A 74 -4.051 6.019 9.200 1.00 0.00 O ATOM 1128 CB LEU A 74 -1.801 3.606 9.191 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.167 2.259 9.548 1.00 0.00 C ATOM 1130 CD1 LEU A 74 0.160 2.092 8.830 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.976 2.135 11.051 1.00 0.00 C ATOM 0 H LEU A 74 -4.075 2.760 8.500 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.000 3.559 10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.010 3.620 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.074 4.395 9.384 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.841 1.467 9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.598 1.130 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.001 2.134 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.837 2.893 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.524 1.170 11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.324 2.935 11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.943 2.211 11.548 1.00 0.00 H new ATOM 1143 N SER A 75 -2.627 6.094 10.936 1.00 0.00 N ATOM 1144 CA SER A 75 -2.736 7.531 11.112 1.00 0.00 C ATOM 1145 C SER A 75 -1.953 8.266 10.030 1.00 0.00 C ATOM 1146 O SER A 75 -1.124 7.666 9.343 1.00 0.00 O ATOM 1147 CB SER A 75 -2.218 7.910 12.495 1.00 0.00 C ATOM 1148 OG SER A 75 -0.954 7.311 12.738 1.00 0.00 O ATOM 0 H SER A 75 -1.996 5.638 11.595 1.00 0.00 H new ATOM 0 HA SER A 75 -3.783 7.823 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.134 8.994 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.930 7.590 13.256 1.00 0.00 H new ATOM 0 HG SER A 75 -0.637 7.567 13.629 1.00 0.00 H new ATOM 1154 N ARG A 76 -2.215 9.561 9.883 1.00 0.00 N ATOM 1155 CA ARG A 76 -1.494 10.386 8.919 1.00 0.00 C ATOM 1156 C ARG A 76 0.008 10.332 9.170 1.00 0.00 C ATOM 1157 O ARG A 76 0.803 10.322 8.230 1.00 0.00 O ATOM 1158 CB ARG A 76 -1.981 11.835 8.977 1.00 0.00 C ATOM 1159 CG ARG A 76 -3.357 12.036 8.368 1.00 0.00 C ATOM 1160 CD ARG A 76 -3.849 13.463 8.544 1.00 0.00 C ATOM 1161 NE ARG A 76 -5.121 13.690 7.853 1.00 0.00 N ATOM 1162 CZ ARG A 76 -6.313 13.371 8.358 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -6.409 12.840 9.568 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -7.418 13.590 7.658 1.00 0.00 N ATOM 0 H ARG A 76 -2.922 10.063 10.420 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.694 9.987 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.001 12.162 10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.265 12.472 8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.324 11.791 7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.064 11.348 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.969 13.678 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.099 14.156 8.162 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.093 14.119 6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.568 12.673 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.324 12.599 9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.359 14.005 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.327 13.344 8.050 1.00 0.00 H new ATOM 1178 N ARG A 77 0.390 10.270 10.441 1.00 0.00 N ATOM 1179 CA ARG A 77 1.797 10.201 10.806 1.00 0.00 C ATOM 1180 C ARG A 77 2.392 8.862 10.378 1.00 0.00 C ATOM 1181 O ARG A 77 3.498 8.807 9.840 1.00 0.00 O ATOM 1182 CB ARG A 77 1.967 10.398 12.312 1.00 0.00 C ATOM 1183 CG ARG A 77 3.418 10.501 12.751 1.00 0.00 C ATOM 1184 CD ARG A 77 3.523 10.880 14.216 1.00 0.00 C ATOM 1185 NE ARG A 77 4.902 11.159 14.620 1.00 0.00 N ATOM 1186 CZ ARG A 77 5.348 12.381 14.933 1.00 0.00 C ATOM 1187 NH1 ARG A 77 4.539 13.426 14.818 1.00 0.00 N ATOM 1188 NH2 ARG A 77 6.599 12.559 15.344 1.00 0.00 N ATOM 0 H ARG A 77 -0.254 10.266 11.232 1.00 0.00 H new ATOM 0 HA ARG A 77 2.328 11.000 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.440 11.303 12.614 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.496 9.565 12.835 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.920 9.548 12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.933 11.245 12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.906 11.758 14.407 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.124 10.071 14.828 1.00 0.00 H new ATOM 0 HE ARG A 77 5.558 10.380 14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.581 13.296 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.875 14.359 15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.228 11.760 15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.930 13.494 15.580 1.00 0.00 H new ATOM 1202 N LYS A 78 1.640 7.787 10.597 1.00 0.00 N ATOM 1203 CA LYS A 78 2.086 6.454 10.213 1.00 0.00 C ATOM 1204 C LYS A 78 2.161 6.332 8.697 1.00 0.00 C ATOM 1205 O LYS A 78 3.087 5.727 8.155 1.00 0.00 O ATOM 1206 CB LYS A 78 1.154 5.382 10.778 1.00 0.00 C ATOM 1207 CG LYS A 78 1.813 4.503 11.827 1.00 0.00 C ATOM 1208 CD LYS A 78 3.064 3.838 11.274 1.00 0.00 C ATOM 1209 CE LYS A 78 3.724 2.924 12.294 1.00 0.00 C ATOM 1210 NZ LYS A 78 4.129 3.655 13.524 1.00 0.00 N ATOM 0 H LYS A 78 0.721 7.814 11.038 1.00 0.00 H new ATOM 0 HA LYS A 78 3.082 6.301 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.280 5.865 11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.796 4.755 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.071 5.103 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.109 3.741 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.805 3.262 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.774 4.604 10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.035 2.122 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.601 2.456 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.721 3.038 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.669 4.504 13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.281 3.935 14.057 1.00 0.00 H new ATOM 1224 N LYS A 79 1.184 6.919 8.020 1.00 0.00 N ATOM 1225 CA LYS A 79 1.159 6.926 6.567 1.00 0.00 C ATOM 1226 C LYS A 79 2.353 7.693 6.016 1.00 0.00 C ATOM 1227 O LYS A 79 2.979 7.263 5.054 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.154 7.523 6.052 1.00 0.00 C ATOM 1229 CG LYS A 79 -1.354 6.620 6.284 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.651 7.288 5.864 1.00 0.00 C ATOM 1231 CE LYS A 79 -3.828 6.331 5.970 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.113 6.987 5.615 1.00 0.00 N ATOM 0 H LYS A 79 0.396 7.398 8.457 1.00 0.00 H new ATOM 0 HA LYS A 79 1.224 5.896 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.328 8.480 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.060 7.725 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.225 5.693 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.408 6.351 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.832 8.161 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.562 7.646 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.662 5.478 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.888 5.942 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.889 6.300 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.285 7.785 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.066 7.336 4.636 1.00 0.00 H new ATOM 1246 N GLU A 80 2.683 8.815 6.647 1.00 0.00 N ATOM 1247 CA GLU A 80 3.834 9.606 6.234 1.00 0.00 C ATOM 1248 C GLU A 80 5.129 8.833 6.490 1.00 0.00 C ATOM 1249 O GLU A 80 6.092 8.955 5.735 1.00 0.00 O ATOM 1250 CB GLU A 80 3.861 10.948 6.968 1.00 0.00 C ATOM 1251 CG GLU A 80 4.887 11.926 6.411 1.00 0.00 C ATOM 1252 CD GLU A 80 4.911 13.237 7.165 1.00 0.00 C ATOM 1253 OE1 GLU A 80 4.087 14.123 6.855 1.00 0.00 O ATOM 1254 OE2 GLU A 80 5.758 13.393 8.070 1.00 0.00 O ATOM 0 H GLU A 80 2.171 9.195 7.443 1.00 0.00 H new ATOM 0 HA GLU A 80 3.749 9.803 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.872 11.402 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.074 10.772 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.876 11.470 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.667 12.119 5.361 1.00 0.00 H new ATOM 1261 N GLN A 81 5.139 8.033 7.556 1.00 0.00 N ATOM 1262 CA GLN A 81 6.277 7.164 7.860 1.00 0.00 C ATOM 1263 C GLN A 81 6.463 6.122 6.764 1.00 0.00 C ATOM 1264 O GLN A 81 7.583 5.837 6.341 1.00 0.00 O ATOM 1265 CB GLN A 81 6.081 6.472 9.210 1.00 0.00 C ATOM 1266 CG GLN A 81 6.378 7.363 10.407 1.00 0.00 C ATOM 1267 CD GLN A 81 7.859 7.651 10.561 1.00 0.00 C ATOM 1268 OE1 GLN A 81 8.576 6.907 11.226 1.00 0.00 O ATOM 1269 NE2 GLN A 81 8.323 8.736 9.964 1.00 0.00 N ATOM 0 H GLN A 81 4.371 7.968 8.224 1.00 0.00 H new ATOM 0 HA GLN A 81 7.172 7.784 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.053 6.117 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.725 5.594 9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.837 8.303 10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.008 6.884 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.694 9.328 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.310 8.981 10.047 1.00 0.00 H new ATOM 1278 N LEU A 82 5.353 5.562 6.300 1.00 0.00 N ATOM 1279 CA LEU A 82 5.378 4.599 5.206 1.00 0.00 C ATOM 1280 C LEU A 82 5.742 5.288 3.890 1.00 0.00 C ATOM 1281 O LEU A 82 6.308 4.677 2.988 1.00 0.00 O ATOM 1282 CB LEU A 82 4.020 3.896 5.096 1.00 0.00 C ATOM 1283 CG LEU A 82 3.733 2.877 6.197 1.00 0.00 C ATOM 1284 CD1 LEU A 82 2.364 2.254 5.994 1.00 0.00 C ATOM 1285 CD2 LEU A 82 4.805 1.797 6.226 1.00 0.00 C ATOM 0 H LEU A 82 4.421 5.759 6.666 1.00 0.00 H new ATOM 0 HA LEU A 82 6.142 3.850 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.234 4.651 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.965 3.392 4.131 1.00 0.00 H new ATOM 0 HG LEU A 82 3.744 3.396 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.173 1.530 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.602 3.033 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.333 1.751 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.580 1.082 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.827 1.280 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.777 2.254 6.415 1.00 0.00 H new ATOM 1297 N VAL A 83 5.422 6.572 3.807 1.00 0.00 N ATOM 1298 CA VAL A 83 5.730 7.381 2.633 1.00 0.00 C ATOM 1299 C VAL A 83 7.151 7.942 2.703 1.00 0.00 C ATOM 1300 O VAL A 83 7.656 8.535 1.750 1.00 0.00 O ATOM 1301 CB VAL A 83 4.676 8.505 2.473 1.00 0.00 C ATOM 1302 CG1 VAL A 83 5.086 9.576 1.468 1.00 0.00 C ATOM 1303 CG2 VAL A 83 3.360 7.885 2.058 1.00 0.00 C ATOM 0 H VAL A 83 4.943 7.082 4.549 1.00 0.00 H new ATOM 0 HA VAL A 83 5.685 6.745 1.749 1.00 0.00 H new ATOM 0 HB VAL A 83 4.584 9.007 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.304 10.333 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.016 10.042 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.231 9.120 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.610 8.667 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.487 7.361 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.033 7.179 2.822 1.00 0.00 H new ATOM 1313 N SER A 84 7.830 7.696 3.814 1.00 0.00 N ATOM 1314 CA SER A 84 9.223 8.103 3.955 1.00 0.00 C ATOM 1315 C SER A 84 10.125 7.231 3.075 1.00 0.00 C ATOM 1316 O SER A 84 11.350 7.351 3.100 1.00 0.00 O ATOM 1317 CB SER A 84 9.649 8.018 5.423 1.00 0.00 C ATOM 1318 OG SER A 84 8.804 8.815 6.243 1.00 0.00 O ATOM 0 H SER A 84 7.443 7.219 4.628 1.00 0.00 H new ATOM 0 HA SER A 84 9.324 9.137 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.614 6.981 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.682 8.351 5.526 1.00 0.00 H new ATOM 0 HG SER A 84 7.869 8.664 5.993 1.00 0.00 H new