USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 22 ASN : amide:sc= -0.35 K(o=-2.8,f=-4!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.48 X(o=-2.8,f=-2.5) USER MOD Set 2.1: A 11 TYR OH : rot -15:sc= -0.746 USER MOD Set 2.2: A 23 GLN : amide:sc= 0 X(o=-0.75,f=-0.84) USER MOD Single : A 1 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.22) USER MOD Single : A 1 GLN N :NH3+ 178:sc= -0.0213 (180deg=-0.0254) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.01 K(o=-2,f=-2.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.05) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.87 (180deg=0.421!) USER MOD Single : A 33 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 36 SER OG : rot -64:sc= -0.22 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.293 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -4.39 K(o=-4.4,f=-7!) USER MOD Single : A 48 GLN : amide:sc= -1.51 X(o=-1.5,f=-1) USER MOD Single : A 53 TYR OH : rot -123:sc= 0.464 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.946 -1.153 0.466 1.00 0.00 N ATOM 2 CA GLN A 1 1.845 0.056 -0.343 1.00 0.00 C ATOM 3 C GLN A 1 3.228 0.576 -0.720 1.00 0.00 C ATOM 4 O GLN A 1 3.877 1.268 0.064 1.00 0.00 O ATOM 5 CB GLN A 1 1.069 1.137 0.411 1.00 0.00 C ATOM 6 CG GLN A 1 -0.393 1.231 0.006 1.00 0.00 C ATOM 7 CD GLN A 1 -1.337 0.891 1.143 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.149 1.337 2.276 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.360 0.098 0.847 1.00 0.00 N ATOM 0 H1 GLN A 1 0.993 -1.469 0.739 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.415 -1.901 -0.084 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.502 -0.953 1.322 1.00 0.00 H new ATOM 0 HA GLN A 1 1.309 -0.194 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.129 0.936 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.547 2.102 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.604 2.240 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -0.579 0.556 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -2.478 -0.249 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.028 -0.164 1.572 1.00 0.00 H new ATOM 18 N ASP A 2 3.674 0.237 -1.925 1.00 0.00 N ATOM 19 CA ASP A 2 4.980 0.670 -2.407 1.00 0.00 C ATOM 20 C ASP A 2 6.085 0.226 -1.454 1.00 0.00 C ATOM 21 O ASP A 2 7.135 0.863 -1.362 1.00 0.00 O ATOM 22 CB ASP A 2 5.009 2.190 -2.568 1.00 0.00 C ATOM 23 CG ASP A 2 3.858 2.706 -3.410 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.707 2.239 -4.558 1.00 0.00 O ATOM 25 OD2 ASP A 2 3.108 3.575 -2.919 1.00 0.00 O ATOM 0 H ASP A 2 3.150 -0.337 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 2 5.154 0.206 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.973 2.657 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.952 2.486 -3.027 1.00 0.00 H new ATOM 30 N LYS A 3 5.842 -0.871 -0.745 1.00 0.00 N ATOM 31 CA LYS A 3 6.816 -1.402 0.202 1.00 0.00 C ATOM 32 C LYS A 3 7.609 -2.548 -0.418 1.00 0.00 C ATOM 33 O LYS A 3 8.391 -3.215 0.261 1.00 0.00 O ATOM 34 CB LYS A 3 6.112 -1.884 1.473 1.00 0.00 C ATOM 35 CG LYS A 3 5.114 -3.002 1.229 1.00 0.00 C ATOM 36 CD LYS A 3 5.085 -3.987 2.385 1.00 0.00 C ATOM 37 CE LYS A 3 5.579 -5.361 1.960 1.00 0.00 C ATOM 38 NZ LYS A 3 5.663 -6.301 3.111 1.00 0.00 N ATOM 0 H LYS A 3 4.978 -1.410 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 3 7.509 -0.601 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.862 -2.227 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.596 -1.042 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.120 -2.578 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.372 -3.527 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.705 -3.612 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.068 -4.068 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.908 -5.771 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.561 -5.266 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.004 -7.226 2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.323 -5.923 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.721 -6.412 3.538 1.00 0.00 H new ATOM 52 N CYS A 4 7.404 -2.772 -1.712 1.00 0.00 N ATOM 53 CA CYS A 4 8.100 -3.836 -2.424 1.00 0.00 C ATOM 54 C CYS A 4 8.807 -3.290 -3.661 1.00 0.00 C ATOM 55 O CYS A 4 8.249 -2.483 -4.404 1.00 0.00 O ATOM 56 CB CYS A 4 7.116 -4.936 -2.829 1.00 0.00 C ATOM 57 SG CYS A 4 5.520 -4.314 -3.449 1.00 0.00 S ATOM 0 H CYS A 4 6.761 -2.230 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 4 8.850 -4.257 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.576 -5.555 -3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.933 -5.580 -1.969 1.00 0.00 H new ATOM 62 N LYS A 5 10.040 -3.737 -3.876 1.00 0.00 N ATOM 63 CA LYS A 5 10.825 -3.296 -5.023 1.00 0.00 C ATOM 64 C LYS A 5 12.071 -4.160 -5.194 1.00 0.00 C ATOM 65 O LYS A 5 12.365 -5.016 -4.360 1.00 0.00 O ATOM 66 CB LYS A 5 11.227 -1.829 -4.859 1.00 0.00 C ATOM 67 CG LYS A 5 11.938 -1.537 -3.549 1.00 0.00 C ATOM 68 CD LYS A 5 13.410 -1.910 -3.618 1.00 0.00 C ATOM 69 CE LYS A 5 14.299 -0.750 -3.196 1.00 0.00 C ATOM 70 NZ LYS A 5 14.209 -0.486 -1.733 1.00 0.00 N ATOM 0 H LYS A 5 10.517 -4.405 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 5 10.207 -3.399 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.876 -1.544 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.335 -1.207 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.841 -0.478 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.459 -2.092 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.600 -2.768 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.663 -2.213 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.333 -0.969 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.011 0.147 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.829 0.311 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.227 -0.252 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.508 -1.333 -1.208 1.00 0.00 H new ATOM 84 N LYS A 6 12.800 -3.929 -6.281 1.00 0.00 N ATOM 85 CA LYS A 6 14.016 -4.683 -6.560 1.00 0.00 C ATOM 86 C LYS A 6 15.036 -3.818 -7.295 1.00 0.00 C ATOM 87 O LYS A 6 14.824 -3.431 -8.444 1.00 0.00 O ATOM 88 CB LYS A 6 13.691 -5.925 -7.394 1.00 0.00 C ATOM 89 CG LYS A 6 12.955 -7.003 -6.617 1.00 0.00 C ATOM 90 CD LYS A 6 12.874 -8.300 -7.404 1.00 0.00 C ATOM 91 CE LYS A 6 14.045 -9.218 -7.086 1.00 0.00 C ATOM 92 NZ LYS A 6 14.975 -9.352 -8.241 1.00 0.00 N ATOM 0 H LYS A 6 12.570 -3.226 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 6 14.447 -4.994 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.086 -5.629 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.618 -6.341 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.464 -7.182 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.949 -6.658 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.938 -8.809 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.862 -8.079 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.589 -8.828 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.669 -10.202 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.759 -9.985 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.463 -9.748 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.354 -8.417 -8.492 1.00 0.00 H new ATOM 106 N VAL A 7 16.145 -3.520 -6.624 1.00 0.00 N ATOM 107 CA VAL A 7 17.199 -2.704 -7.214 1.00 0.00 C ATOM 108 C VAL A 7 17.923 -3.459 -8.322 1.00 0.00 C ATOM 109 O VAL A 7 18.176 -4.658 -8.208 1.00 0.00 O ATOM 110 CB VAL A 7 18.225 -2.260 -6.154 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.385 -1.526 -6.808 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.558 -1.390 -5.100 1.00 0.00 C ATOM 0 H VAL A 7 16.336 -3.832 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 7 16.718 -1.821 -7.635 1.00 0.00 H new ATOM 0 HB VAL A 7 18.621 -3.148 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.099 -1.220 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.878 -2.187 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.011 -0.644 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.297 -1.085 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.133 -0.505 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.765 -1.955 -4.610 1.00 0.00 H new ATOM 122 N TYR A 8 18.255 -2.749 -9.395 1.00 0.00 N ATOM 123 CA TYR A 8 18.950 -3.352 -10.526 1.00 0.00 C ATOM 124 C TYR A 8 20.358 -2.782 -10.668 1.00 0.00 C ATOM 125 O TYR A 8 20.586 -1.847 -11.435 1.00 0.00 O ATOM 126 CB TYR A 8 18.162 -3.122 -11.817 1.00 0.00 C ATOM 127 CG TYR A 8 18.535 -4.073 -12.931 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.758 -5.421 -12.676 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.663 -3.624 -14.240 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.099 -6.293 -13.692 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.003 -4.490 -15.262 1.00 0.00 C ATOM 132 CZ TYR A 8 19.220 -5.823 -14.983 1.00 0.00 C ATOM 133 OH TYR A 8 19.559 -6.689 -15.997 1.00 0.00 O ATOM 0 H TYR A 8 18.054 -1.755 -9.505 1.00 0.00 H new ATOM 0 HA TYR A 8 19.029 -4.423 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.097 -3.223 -11.606 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.325 -2.098 -12.155 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.663 -5.793 -11.667 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.494 -2.581 -14.462 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.270 -7.337 -13.476 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.098 -4.125 -16.274 1.00 0.00 H new ATOM 0 HH TYR A 8 19.602 -6.199 -16.845 1.00 0.00 H new ATOM 143 N GLU A 9 21.299 -3.354 -9.923 1.00 0.00 N ATOM 144 CA GLU A 9 22.685 -2.903 -9.966 1.00 0.00 C ATOM 145 C GLU A 9 23.301 -3.167 -11.336 1.00 0.00 C ATOM 146 O GLU A 9 24.377 -2.661 -11.653 1.00 0.00 O ATOM 147 CB GLU A 9 23.506 -3.604 -8.881 1.00 0.00 C ATOM 148 CG GLU A 9 22.868 -3.548 -7.503 1.00 0.00 C ATOM 149 CD GLU A 9 23.715 -4.221 -6.441 1.00 0.00 C ATOM 150 OE1 GLU A 9 23.924 -5.448 -6.539 1.00 0.00 O ATOM 151 OE2 GLU A 9 24.168 -3.521 -5.511 1.00 0.00 O ATOM 0 H GLU A 9 21.127 -4.130 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 9 22.697 -1.828 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.650 -4.647 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.495 -3.147 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.703 -2.507 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.890 -4.027 -7.540 1.00 0.00 H new ATOM 158 N ASN A 10 22.611 -3.965 -12.145 1.00 0.00 N ATOM 159 CA ASN A 10 23.091 -4.299 -13.481 1.00 0.00 C ATOM 160 C ASN A 10 22.574 -3.298 -14.510 1.00 0.00 C ATOM 161 O ASN A 10 22.126 -3.679 -15.592 1.00 0.00 O ATOM 162 CB ASN A 10 22.652 -5.714 -13.865 1.00 0.00 C ATOM 163 CG ASN A 10 23.559 -6.779 -13.279 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.143 -7.581 -14.008 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.681 -6.791 -11.957 1.00 0.00 N ATOM 0 H ASN A 10 21.718 -4.392 -11.899 1.00 0.00 H new ATOM 0 HA ASN A 10 24.180 -4.254 -13.471 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.631 -5.881 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.642 -5.806 -14.951 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.278 -7.484 -11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.178 -6.107 -11.392 1.00 0.00 H new ATOM 172 N TYR A 11 22.642 -2.017 -14.166 1.00 0.00 N ATOM 173 CA TYR A 11 22.180 -0.960 -15.059 1.00 0.00 C ATOM 174 C TYR A 11 22.980 0.321 -14.847 1.00 0.00 C ATOM 175 O TYR A 11 23.334 0.684 -13.725 1.00 0.00 O ATOM 176 CB TYR A 11 20.691 -0.689 -14.834 1.00 0.00 C ATOM 177 CG TYR A 11 19.898 -0.566 -16.115 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.774 -1.642 -16.985 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.271 0.627 -16.456 1.00 0.00 C ATOM 180 CE1 TYR A 11 19.051 -1.534 -18.157 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.544 0.744 -17.625 1.00 0.00 C ATOM 182 CZ TYR A 11 18.438 -0.339 -18.472 1.00 0.00 C ATOM 183 OH TYR A 11 17.715 -0.228 -19.638 1.00 0.00 O ATOM 0 H TYR A 11 23.012 -1.685 -13.276 1.00 0.00 H new ATOM 0 HA TYR A 11 22.331 -1.294 -16.085 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.271 -1.495 -14.232 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.580 0.230 -14.258 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.251 -2.579 -16.741 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.354 1.477 -15.795 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.966 -2.380 -18.823 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.062 1.678 -17.874 1.00 0.00 H new ATOM 0 HH TYR A 11 17.930 -0.980 -20.229 1.00 0.00 H new ATOM 193 N PRO A 12 23.271 1.025 -15.951 1.00 0.00 N ATOM 194 CA PRO A 12 24.032 2.278 -15.913 1.00 0.00 C ATOM 195 C PRO A 12 23.241 3.417 -15.277 1.00 0.00 C ATOM 196 O PRO A 12 22.142 3.747 -15.722 1.00 0.00 O ATOM 197 CB PRO A 12 24.301 2.574 -17.390 1.00 0.00 C ATOM 198 CG PRO A 12 23.202 1.884 -18.122 1.00 0.00 C ATOM 199 CD PRO A 12 22.881 0.652 -17.321 1.00 0.00 C ATOM 0 HA PRO A 12 24.936 2.188 -15.311 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.295 3.646 -17.586 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.277 2.199 -17.697 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.328 2.529 -18.213 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.511 1.622 -19.134 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.823 0.397 -17.382 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.439 -0.215 -17.676 1.00 0.00 H new ATOM 207 N VAL A 13 23.808 4.014 -14.234 1.00 0.00 N ATOM 208 CA VAL A 13 23.157 5.117 -13.537 1.00 0.00 C ATOM 209 C VAL A 13 22.905 6.289 -14.480 1.00 0.00 C ATOM 210 O VAL A 13 22.077 7.156 -14.200 1.00 0.00 O ATOM 211 CB VAL A 13 24.001 5.604 -12.345 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.396 4.434 -11.456 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.233 6.352 -12.834 1.00 0.00 C ATOM 0 H VAL A 13 24.717 3.752 -13.853 1.00 0.00 H new ATOM 0 HA VAL A 13 22.204 4.740 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 13 23.398 6.292 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.992 4.798 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.498 3.946 -11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.981 3.719 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.818 6.689 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.840 5.689 -13.450 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.924 7.215 -13.425 1.00 0.00 H new ATOM 223 N SER A 14 23.623 6.308 -15.598 1.00 0.00 N ATOM 224 CA SER A 14 23.480 7.375 -16.581 1.00 0.00 C ATOM 225 C SER A 14 22.091 7.350 -17.211 1.00 0.00 C ATOM 226 O SER A 14 21.390 8.362 -17.240 1.00 0.00 O ATOM 227 CB SER A 14 24.548 7.243 -17.668 1.00 0.00 C ATOM 228 OG SER A 14 25.396 8.378 -17.691 1.00 0.00 O ATOM 0 H SER A 14 24.310 5.596 -15.846 1.00 0.00 H new ATOM 0 HA SER A 14 23.610 8.328 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.141 6.346 -17.492 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.069 7.123 -18.640 1.00 0.00 H new ATOM 0 HG SER A 14 26.071 8.268 -18.393 1.00 0.00 H new ATOM 234 N LYS A 15 21.698 6.185 -17.716 1.00 0.00 N ATOM 235 CA LYS A 15 20.393 6.025 -18.345 1.00 0.00 C ATOM 236 C LYS A 15 19.271 6.337 -17.359 1.00 0.00 C ATOM 237 O LYS A 15 18.141 6.622 -17.758 1.00 0.00 O ATOM 238 CB LYS A 15 20.233 4.600 -18.880 1.00 0.00 C ATOM 239 CG LYS A 15 20.419 4.490 -20.383 1.00 0.00 C ATOM 240 CD LYS A 15 19.774 3.230 -20.935 1.00 0.00 C ATOM 241 CE LYS A 15 20.782 2.366 -21.678 1.00 0.00 C ATOM 242 NZ LYS A 15 20.150 1.613 -22.796 1.00 0.00 N ATOM 0 H LYS A 15 22.266 5.338 -17.702 1.00 0.00 H new ATOM 0 HA LYS A 15 20.330 6.728 -19.175 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.956 3.952 -18.385 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.241 4.231 -18.617 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.986 5.364 -20.869 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.483 4.489 -20.620 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.335 2.657 -20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.960 3.501 -21.608 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.581 2.996 -22.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.242 1.664 -20.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.870 1.037 -23.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.405 0.993 -22.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.733 2.283 -23.474 1.00 0.00 H new ATOM 256 N CYS A 16 19.590 6.284 -16.071 1.00 0.00 N ATOM 257 CA CYS A 16 18.611 6.563 -15.028 1.00 0.00 C ATOM 258 C CYS A 16 18.354 8.062 -14.909 1.00 0.00 C ATOM 259 O CYS A 16 17.208 8.510 -14.952 1.00 0.00 O ATOM 260 CB CYS A 16 19.093 6.009 -13.685 1.00 0.00 C ATOM 261 SG CYS A 16 18.503 4.325 -13.320 1.00 0.00 S ATOM 0 H CYS A 16 20.520 6.050 -15.724 1.00 0.00 H new ATOM 0 HA CYS A 16 17.677 6.073 -15.302 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.183 6.011 -13.674 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.765 6.678 -12.889 1.00 0.00 H new ATOM 266 N GLN A 17 19.427 8.831 -14.760 1.00 0.00 N ATOM 267 CA GLN A 17 19.318 10.279 -14.635 1.00 0.00 C ATOM 268 C GLN A 17 18.747 10.894 -15.909 1.00 0.00 C ATOM 269 O GLN A 17 18.317 12.048 -15.915 1.00 0.00 O ATOM 270 CB GLN A 17 20.686 10.891 -14.328 1.00 0.00 C ATOM 271 CG GLN A 17 21.244 10.485 -12.973 1.00 0.00 C ATOM 272 CD GLN A 17 22.521 9.676 -13.087 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.289 9.838 -14.036 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.756 8.800 -12.118 1.00 0.00 N ATOM 0 H GLN A 17 20.382 8.475 -14.723 1.00 0.00 H new ATOM 0 HA GLN A 17 18.638 10.497 -13.811 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.390 10.594 -15.105 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.606 11.977 -14.368 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.437 11.380 -12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.496 9.902 -12.436 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.092 8.699 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.600 8.228 -12.141 1.00 0.00 H new ATOM 283 N LEU A 18 18.747 10.117 -16.986 1.00 0.00 N ATOM 284 CA LEU A 18 18.229 10.585 -18.267 1.00 0.00 C ATOM 285 C LEU A 18 16.718 10.781 -18.205 1.00 0.00 C ATOM 286 O LEU A 18 15.951 9.884 -18.554 1.00 0.00 O ATOM 287 CB LEU A 18 18.581 9.591 -19.375 1.00 0.00 C ATOM 288 CG LEU A 18 19.829 9.915 -20.197 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.353 8.666 -20.887 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.528 11.004 -21.217 1.00 0.00 C ATOM 0 H LEU A 18 19.100 9.160 -16.998 1.00 0.00 H new ATOM 0 HA LEU A 18 18.692 11.546 -18.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.713 8.607 -18.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.732 9.519 -20.054 1.00 0.00 H new ATOM 0 HG LEU A 18 20.601 10.282 -19.521 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.241 8.916 -21.467 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.608 7.916 -20.138 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.586 8.268 -21.551 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.427 11.222 -21.793 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.740 10.665 -21.889 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.201 11.906 -20.700 1.00 0.00 H new ATOM 302 N ARG A 19 16.297 11.961 -17.759 1.00 0.00 N ATOM 303 CA ARG A 19 14.878 12.275 -17.652 1.00 0.00 C ATOM 304 C ARG A 19 14.224 12.310 -19.030 1.00 0.00 C ATOM 305 O ARG A 19 13.014 12.120 -19.159 1.00 0.00 O ATOM 306 CB ARG A 19 14.683 13.620 -16.949 1.00 0.00 C ATOM 307 CG ARG A 19 14.593 13.508 -15.436 1.00 0.00 C ATOM 308 CD ARG A 19 13.169 13.226 -14.982 1.00 0.00 C ATOM 309 NE ARG A 19 12.315 14.405 -15.096 1.00 0.00 N ATOM 310 CZ ARG A 19 11.080 14.467 -14.609 1.00 0.00 C ATOM 311 NH1 ARG A 19 10.559 13.424 -13.979 1.00 0.00 N ATOM 312 NH2 ARG A 19 10.365 15.575 -14.753 1.00 0.00 N ATOM 0 H ARG A 19 16.919 12.715 -17.466 1.00 0.00 H new ATOM 0 HA ARG A 19 14.402 11.492 -17.062 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.512 14.279 -17.208 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.774 14.089 -17.325 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.251 12.711 -15.089 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.945 14.433 -14.980 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.751 12.416 -15.581 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.179 12.885 -13.947 1.00 0.00 H new ATOM 0 HE ARG A 19 12.686 15.225 -15.575 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.106 12.571 -13.867 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.611 13.475 -13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.763 16.379 -15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.417 15.622 -14.379 1.00 0.00 H new ATOM 326 N ILE A 20 15.031 12.555 -20.057 1.00 0.00 N ATOM 327 CA ILE A 20 14.530 12.614 -21.425 1.00 0.00 C ATOM 328 C ILE A 20 14.316 11.215 -21.993 1.00 0.00 C ATOM 329 O ILE A 20 13.450 11.004 -22.841 1.00 0.00 O ATOM 330 CB ILE A 20 15.494 13.387 -22.344 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.959 14.676 -21.663 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.824 13.697 -23.674 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.906 15.499 -22.509 1.00 0.00 C ATOM 0 H ILE A 20 16.034 12.716 -19.968 1.00 0.00 H new ATOM 0 HA ILE A 20 13.575 13.139 -21.389 1.00 0.00 H new ATOM 0 HB ILE A 20 16.367 12.764 -22.536 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.087 15.281 -21.415 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.450 14.424 -20.723 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.518 14.244 -24.312 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.538 12.766 -24.163 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.935 14.304 -23.501 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.194 16.398 -21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.796 14.911 -22.736 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.411 15.782 -23.438 1.00 0.00 H new ATOM 345 N ALA A 21 15.111 10.261 -21.517 1.00 0.00 N ATOM 346 CA ALA A 21 15.006 8.881 -21.975 1.00 0.00 C ATOM 347 C ALA A 21 15.309 7.904 -20.844 1.00 0.00 C ATOM 348 O ALA A 21 16.421 7.388 -20.739 1.00 0.00 O ATOM 349 CB ALA A 21 15.943 8.641 -23.149 1.00 0.00 C ATOM 0 H ALA A 21 15.834 10.419 -20.815 1.00 0.00 H new ATOM 0 HA ALA A 21 13.981 8.710 -22.303 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.854 7.606 -23.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.678 9.309 -23.969 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.970 8.836 -22.840 1.00 0.00 H new ATOM 355 N ASN A 22 14.313 7.654 -20.001 1.00 0.00 N ATOM 356 CA ASN A 22 14.474 6.738 -18.877 1.00 0.00 C ATOM 357 C ASN A 22 14.223 5.297 -19.309 1.00 0.00 C ATOM 358 O ASN A 22 13.104 4.794 -19.207 1.00 0.00 O ATOM 359 CB ASN A 22 13.519 7.117 -17.743 1.00 0.00 C ATOM 360 CG ASN A 22 14.093 6.803 -16.375 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.303 6.885 -16.163 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.224 6.440 -15.438 1.00 0.00 N ATOM 0 H ASN A 22 13.386 8.073 -20.074 1.00 0.00 H new ATOM 0 HA ASN A 22 15.501 6.817 -18.520 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.292 8.181 -17.803 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.578 6.583 -17.870 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.551 6.216 -14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.230 6.385 -15.658 1.00 0.00 H new ATOM 369 N GLN A 23 15.272 4.638 -19.791 1.00 0.00 N ATOM 370 CA GLN A 23 15.165 3.254 -20.239 1.00 0.00 C ATOM 371 C GLN A 23 15.069 2.304 -19.050 1.00 0.00 C ATOM 372 O GLN A 23 14.887 1.098 -19.219 1.00 0.00 O ATOM 373 CB GLN A 23 16.367 2.883 -21.109 1.00 0.00 C ATOM 374 CG GLN A 23 15.998 2.549 -22.545 1.00 0.00 C ATOM 375 CD GLN A 23 15.519 1.120 -22.708 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.213 0.174 -22.334 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.326 0.955 -23.268 1.00 0.00 N ATOM 0 H GLN A 23 16.205 5.040 -19.881 1.00 0.00 H new ATOM 0 HA GLN A 23 14.255 3.159 -20.831 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.075 3.711 -21.108 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.876 2.028 -20.665 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.217 3.230 -22.883 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.864 2.713 -23.186 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.784 1.767 -23.563 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.951 0.016 -23.403 1.00 0.00 H new ATOM 386 N CYS A 24 15.193 2.854 -17.847 1.00 0.00 N ATOM 387 CA CYS A 24 15.122 2.056 -16.629 1.00 0.00 C ATOM 388 C CYS A 24 13.725 1.470 -16.444 1.00 0.00 C ATOM 389 O CYS A 24 13.545 0.253 -16.455 1.00 0.00 O ATOM 390 CB CYS A 24 15.495 2.907 -15.414 1.00 0.00 C ATOM 391 SG CYS A 24 14.962 2.202 -13.821 1.00 0.00 S ATOM 0 H CYS A 24 15.343 3.850 -17.689 1.00 0.00 H new ATOM 0 HA CYS A 24 15.833 1.235 -16.720 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.577 3.041 -15.396 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.053 3.897 -15.527 1.00 0.00 H new ATOM 396 N ASN A 25 12.740 2.345 -16.275 1.00 0.00 N ATOM 397 CA ASN A 25 11.359 1.915 -16.087 1.00 0.00 C ATOM 398 C ASN A 25 10.920 0.988 -17.216 1.00 0.00 C ATOM 399 O ASN A 25 10.199 0.016 -16.990 1.00 0.00 O ATOM 400 CB ASN A 25 10.430 3.128 -16.017 1.00 0.00 C ATOM 401 CG ASN A 25 10.195 3.756 -17.377 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.431 3.236 -18.190 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.854 4.881 -17.631 1.00 0.00 N ATOM 0 H ASN A 25 12.872 3.356 -16.264 1.00 0.00 H new ATOM 0 HA ASN A 25 11.300 1.367 -15.147 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.474 2.826 -15.589 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.859 3.872 -15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.737 5.349 -18.530 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.477 5.277 -16.927 1.00 0.00 H new ATOM 410 N TYR A 26 11.359 1.296 -18.431 1.00 0.00 N ATOM 411 CA TYR A 26 11.010 0.492 -19.597 1.00 0.00 C ATOM 412 C TYR A 26 11.734 -0.851 -19.569 1.00 0.00 C ATOM 413 O TYR A 26 11.185 -1.874 -19.979 1.00 0.00 O ATOM 414 CB TYR A 26 11.356 1.244 -20.883 1.00 0.00 C ATOM 415 CG TYR A 26 10.283 1.154 -21.944 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.046 1.759 -21.762 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.507 0.464 -23.130 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.062 1.679 -22.729 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.529 0.380 -24.102 1.00 0.00 C ATOM 420 CZ TYR A 26 8.309 0.989 -23.897 1.00 0.00 C ATOM 421 OH TYR A 26 7.332 0.908 -24.863 1.00 0.00 O ATOM 0 H TYR A 26 11.957 2.097 -18.635 1.00 0.00 H new ATOM 0 HA TYR A 26 9.936 0.306 -19.571 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.532 2.293 -20.644 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.288 0.848 -21.286 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.850 2.301 -20.849 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.461 -0.014 -23.294 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.105 2.154 -22.571 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.719 -0.160 -25.018 1.00 0.00 H new ATOM 0 HH TYR A 26 7.666 0.388 -25.624 1.00 0.00 H new ATOM 431 N ASP A 27 12.970 -0.839 -19.081 1.00 0.00 N ATOM 432 CA ASP A 27 13.770 -2.055 -18.997 1.00 0.00 C ATOM 433 C ASP A 27 13.196 -3.013 -17.958 1.00 0.00 C ATOM 434 O ASP A 27 13.117 -4.220 -18.187 1.00 0.00 O ATOM 435 CB ASP A 27 15.220 -1.715 -18.649 1.00 0.00 C ATOM 436 CG ASP A 27 15.986 -2.913 -18.124 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.515 -3.687 -18.950 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.059 -3.076 -16.888 1.00 0.00 O ATOM 0 H ASP A 27 13.439 -0.001 -18.738 1.00 0.00 H new ATOM 0 HA ASP A 27 13.744 -2.545 -19.970 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.722 -1.327 -19.535 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.235 -0.922 -17.901 1.00 0.00 H new ATOM 443 N CYS A 28 12.797 -2.467 -16.814 1.00 0.00 N ATOM 444 CA CYS A 28 12.231 -3.271 -15.738 1.00 0.00 C ATOM 445 C CYS A 28 11.066 -4.116 -16.245 1.00 0.00 C ATOM 446 O CYS A 28 11.094 -5.345 -16.164 1.00 0.00 O ATOM 447 CB CYS A 28 11.763 -2.372 -14.592 1.00 0.00 C ATOM 448 SG CYS A 28 13.098 -1.831 -13.477 1.00 0.00 S ATOM 0 H CYS A 28 12.855 -1.470 -16.608 1.00 0.00 H new ATOM 0 HA CYS A 28 13.009 -3.940 -15.371 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.275 -1.492 -15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.012 -2.906 -14.010 1.00 0.00 H new ATOM 453 N LYS A 29 10.043 -3.450 -16.768 1.00 0.00 N ATOM 454 CA LYS A 29 8.868 -4.137 -17.290 1.00 0.00 C ATOM 455 C LYS A 29 9.240 -5.030 -18.470 1.00 0.00 C ATOM 456 O LYS A 29 8.604 -6.058 -18.708 1.00 0.00 O ATOM 457 CB LYS A 29 7.806 -3.122 -17.720 1.00 0.00 C ATOM 458 CG LYS A 29 7.477 -2.096 -16.649 1.00 0.00 C ATOM 459 CD LYS A 29 6.889 -0.831 -17.251 1.00 0.00 C ATOM 460 CE LYS A 29 5.421 -1.013 -17.605 1.00 0.00 C ATOM 461 NZ LYS A 29 4.540 -0.134 -16.788 1.00 0.00 N ATOM 0 H LYS A 29 10.004 -2.433 -16.842 1.00 0.00 H new ATOM 0 HA LYS A 29 8.462 -4.763 -16.496 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.152 -2.603 -18.614 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.895 -3.655 -17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.770 -2.524 -15.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.380 -1.849 -16.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.995 -0.007 -16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.449 -0.558 -18.145 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.273 -0.794 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.137 -2.054 -17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.590 -0.107 -17.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.479 -0.508 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.935 0.828 -16.763 1.00 0.00 H new ATOM 475 N LEU A 30 10.272 -4.632 -19.205 1.00 0.00 N ATOM 476 CA LEU A 30 10.730 -5.397 -20.360 1.00 0.00 C ATOM 477 C LEU A 30 11.011 -6.846 -19.976 1.00 0.00 C ATOM 478 O LEU A 30 10.493 -7.775 -20.597 1.00 0.00 O ATOM 479 CB LEU A 30 11.988 -4.761 -20.952 1.00 0.00 C ATOM 480 CG LEU A 30 11.913 -4.371 -22.428 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.980 -2.860 -22.586 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.030 -5.042 -23.215 1.00 0.00 C ATOM 0 H LEU A 30 10.808 -3.784 -19.022 1.00 0.00 H new ATOM 0 HA LEU A 30 9.938 -5.386 -21.109 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.226 -3.869 -20.373 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.817 -5.456 -20.822 1.00 0.00 H new ATOM 0 HG LEU A 30 10.958 -4.715 -22.826 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.925 -2.602 -23.644 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.145 -2.401 -22.057 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.918 -2.492 -22.171 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.961 -4.753 -24.264 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.995 -4.730 -22.815 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.935 -6.125 -23.130 1.00 0.00 H new ATOM 494 N ASP A 31 11.832 -7.032 -18.948 1.00 0.00 N ATOM 495 CA ASP A 31 12.180 -8.368 -18.479 1.00 0.00 C ATOM 496 C ASP A 31 11.527 -8.657 -17.131 1.00 0.00 C ATOM 497 O ASP A 31 10.629 -9.494 -17.030 1.00 0.00 O ATOM 498 CB ASP A 31 13.698 -8.513 -18.366 1.00 0.00 C ATOM 499 CG ASP A 31 14.290 -9.313 -19.510 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.822 -9.145 -20.656 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.220 -10.108 -19.260 1.00 0.00 O ATOM 0 H ASP A 31 12.269 -6.274 -18.424 1.00 0.00 H new ATOM 0 HA ASP A 31 11.808 -9.090 -19.206 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.154 -7.523 -18.344 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.944 -8.998 -17.422 1.00 0.00 H new ATOM 506 N LYS A 32 11.985 -7.961 -16.096 1.00 0.00 N ATOM 507 CA LYS A 32 11.447 -8.142 -14.753 1.00 0.00 C ATOM 508 C LYS A 32 9.923 -8.091 -14.766 1.00 0.00 C ATOM 509 O LYS A 32 9.263 -8.732 -13.947 1.00 0.00 O ATOM 510 CB LYS A 32 11.995 -7.066 -13.813 1.00 0.00 C ATOM 511 CG LYS A 32 13.507 -6.931 -13.859 1.00 0.00 C ATOM 512 CD LYS A 32 14.090 -6.712 -12.473 1.00 0.00 C ATOM 513 CE LYS A 32 15.572 -6.376 -12.539 1.00 0.00 C ATOM 514 NZ LYS A 32 16.109 -5.972 -11.210 1.00 0.00 N ATOM 0 H LYS A 32 12.728 -7.266 -16.162 1.00 0.00 H new ATOM 0 HA LYS A 32 11.757 -9.123 -14.394 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.545 -6.107 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.690 -7.297 -12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.940 -7.829 -14.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.779 -6.096 -14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.554 -5.904 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.946 -7.609 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.124 -7.241 -12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.730 -5.569 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.082 -5.622 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.514 -5.219 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.107 -6.792 -10.571 1.00 0.00 H new ATOM 528 N HIS A 33 9.368 -7.328 -15.703 1.00 0.00 N ATOM 529 CA HIS A 33 7.921 -7.196 -15.824 1.00 0.00 C ATOM 530 C HIS A 33 7.331 -6.523 -14.588 1.00 0.00 C ATOM 531 O HIS A 33 6.215 -6.834 -14.173 1.00 0.00 O ATOM 532 CB HIS A 33 7.278 -8.568 -16.027 1.00 0.00 C ATOM 533 CG HIS A 33 5.992 -8.519 -16.793 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.904 -8.815 -18.137 1.00 0.00 N ATOM 535 CD2 HIS A 33 4.736 -8.208 -16.395 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.651 -8.686 -18.533 1.00 0.00 C ATOM 537 NE2 HIS A 33 3.921 -8.319 -17.495 1.00 0.00 N ATOM 0 H HIS A 33 9.899 -6.792 -16.389 1.00 0.00 H new ATOM 0 HA HIS A 33 7.710 -6.571 -16.692 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.980 -9.215 -16.553 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.094 -9.022 -15.053 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.432 -7.925 -15.398 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.285 -8.852 -19.535 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.916 -8.146 -17.508 1.00 0.00 H new ATOM 545 N ALA A 34 8.089 -5.601 -14.003 1.00 0.00 N ATOM 546 CA ALA A 34 7.641 -4.884 -12.816 1.00 0.00 C ATOM 547 C ALA A 34 6.347 -4.125 -13.089 1.00 0.00 C ATOM 548 O ALA A 34 5.725 -4.296 -14.137 1.00 0.00 O ATOM 549 CB ALA A 34 8.724 -3.929 -12.336 1.00 0.00 C ATOM 0 H ALA A 34 9.017 -5.333 -14.332 1.00 0.00 H new ATOM 0 HA ALA A 34 7.444 -5.616 -12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.376 -3.400 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.624 -4.493 -12.092 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.949 -3.209 -13.123 1.00 0.00 H new ATOM 555 N ARG A 35 5.948 -3.285 -12.139 1.00 0.00 N ATOM 556 CA ARG A 35 4.726 -2.501 -12.277 1.00 0.00 C ATOM 557 C ARG A 35 4.969 -1.262 -13.134 1.00 0.00 C ATOM 558 O ARG A 35 4.306 -1.059 -14.151 1.00 0.00 O ATOM 559 CB ARG A 35 4.203 -2.087 -10.900 1.00 0.00 C ATOM 560 CG ARG A 35 4.189 -3.221 -9.888 1.00 0.00 C ATOM 561 CD ARG A 35 3.776 -2.731 -8.509 1.00 0.00 C ATOM 562 NE ARG A 35 2.364 -2.360 -8.460 1.00 0.00 N ATOM 563 CZ ARG A 35 1.918 -1.135 -8.711 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.767 -0.168 -9.029 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.618 -0.875 -8.647 1.00 0.00 N ATOM 0 H ARG A 35 6.453 -3.130 -11.266 1.00 0.00 H new ATOM 0 HA ARG A 35 3.979 -3.122 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.820 -1.275 -10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.192 -1.695 -11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.501 -3.998 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.179 -3.674 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.971 -3.511 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.386 -1.872 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 35 1.684 -3.081 -8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.767 -0.364 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.421 0.772 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.039 -1.617 -8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.276 0.066 -8.840 1.00 0.00 H new ATOM 579 N SER A 36 5.924 -0.438 -12.716 1.00 0.00 N ATOM 580 CA SER A 36 6.251 0.784 -13.442 1.00 0.00 C ATOM 581 C SER A 36 7.760 0.923 -13.618 1.00 0.00 C ATOM 582 O SER A 36 8.249 1.158 -14.722 1.00 0.00 O ATOM 583 CB SER A 36 5.697 2.005 -12.705 1.00 0.00 C ATOM 584 OG SER A 36 6.590 2.438 -11.693 1.00 0.00 O ATOM 0 H SER A 36 6.485 -0.594 -11.879 1.00 0.00 H new ATOM 0 HA SER A 36 5.791 0.725 -14.428 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.526 2.815 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.732 1.759 -12.262 1.00 0.00 H new ATOM 0 HG SER A 36 6.676 1.739 -11.011 1.00 0.00 H new ATOM 590 N GLY A 37 8.494 0.775 -12.519 1.00 0.00 N ATOM 591 CA GLY A 37 9.940 0.888 -12.572 1.00 0.00 C ATOM 592 C GLY A 37 10.412 2.326 -12.501 1.00 0.00 C ATOM 593 O GLY A 37 9.887 3.193 -13.198 1.00 0.00 O ATOM 0 H GLY A 37 8.113 0.579 -11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.376 0.325 -11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.303 0.435 -13.494 1.00 0.00 H new ATOM 597 N GLU A 38 11.406 2.580 -11.655 1.00 0.00 N ATOM 598 CA GLU A 38 11.947 3.925 -11.494 1.00 0.00 C ATOM 599 C GLU A 38 13.374 3.877 -10.957 1.00 0.00 C ATOM 600 O GLU A 38 13.834 2.841 -10.475 1.00 0.00 O ATOM 601 CB GLU A 38 11.063 4.745 -10.553 1.00 0.00 C ATOM 602 CG GLU A 38 9.851 5.358 -11.235 1.00 0.00 C ATOM 603 CD GLU A 38 8.561 4.643 -10.885 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.629 3.470 -10.461 1.00 0.00 O ATOM 605 OE2 GLU A 38 7.483 5.255 -11.034 1.00 0.00 O ATOM 0 H GLU A 38 11.853 1.873 -11.071 1.00 0.00 H new ATOM 0 HA GLU A 38 11.962 4.402 -12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.726 4.106 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.661 5.541 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.770 6.407 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.995 5.332 -12.315 1.00 0.00 H new ATOM 612 N CYS A 39 14.071 5.005 -11.043 1.00 0.00 N ATOM 613 CA CYS A 39 15.446 5.093 -10.567 1.00 0.00 C ATOM 614 C CYS A 39 15.527 5.924 -9.290 1.00 0.00 C ATOM 615 O CYS A 39 14.867 6.956 -9.164 1.00 0.00 O ATOM 616 CB CYS A 39 16.342 5.706 -11.645 1.00 0.00 C ATOM 617 SG CYS A 39 16.437 4.728 -13.178 1.00 0.00 S ATOM 0 H CYS A 39 13.706 5.871 -11.438 1.00 0.00 H new ATOM 0 HA CYS A 39 15.793 4.084 -10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.973 6.703 -11.885 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.347 5.827 -11.241 1.00 0.00 H new ATOM 622 N PHE A 40 16.341 5.467 -8.344 1.00 0.00 N ATOM 623 CA PHE A 40 16.509 6.167 -7.075 1.00 0.00 C ATOM 624 C PHE A 40 17.897 5.915 -6.495 1.00 0.00 C ATOM 625 O PHE A 40 18.544 4.918 -6.814 1.00 0.00 O ATOM 626 CB PHE A 40 15.438 5.721 -6.077 1.00 0.00 C ATOM 627 CG PHE A 40 14.035 5.993 -6.541 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.497 7.267 -6.452 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.255 4.976 -7.067 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.207 7.520 -6.878 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.964 5.223 -7.494 1.00 0.00 C ATOM 632 CZ PHE A 40 11.440 6.498 -7.400 1.00 0.00 C ATOM 0 H PHE A 40 16.895 4.615 -8.432 1.00 0.00 H new ATOM 0 HA PHE A 40 16.401 7.236 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.550 4.653 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.603 6.230 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.092 8.071 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.661 3.978 -7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.799 8.517 -6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.366 4.421 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.432 6.695 -7.734 1.00 0.00 H new ATOM 642 N TYR A 41 18.349 6.827 -5.641 1.00 0.00 N ATOM 643 CA TYR A 41 19.661 6.707 -5.018 1.00 0.00 C ATOM 644 C TYR A 41 19.630 5.701 -3.872 1.00 0.00 C ATOM 645 O TYR A 41 18.583 5.460 -3.270 1.00 0.00 O ATOM 646 CB TYR A 41 20.131 8.069 -4.503 1.00 0.00 C ATOM 647 CG TYR A 41 20.507 9.036 -5.603 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.746 8.960 -6.228 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.623 10.024 -6.018 1.00 0.00 C ATOM 650 CE1 TYR A 41 22.094 9.842 -7.233 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.962 10.909 -7.023 1.00 0.00 C ATOM 652 CZ TYR A 41 21.199 10.814 -7.627 1.00 0.00 C ATOM 653 OH TYR A 41 21.541 11.693 -8.629 1.00 0.00 O ATOM 0 H TYR A 41 17.825 7.658 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 41 20.362 6.350 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.340 8.511 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.991 7.924 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.449 8.199 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.654 10.101 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 41 23.062 9.770 -7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.263 11.671 -7.334 1.00 0.00 H new ATOM 0 HH TYR A 41 20.799 12.314 -8.787 1.00 0.00 H new ATOM 663 N ASP A 42 20.786 5.116 -3.576 1.00 0.00 N ATOM 664 CA ASP A 42 20.893 4.136 -2.501 1.00 0.00 C ATOM 665 C ASP A 42 21.570 4.745 -1.277 1.00 0.00 C ATOM 666 O ASP A 42 21.774 5.956 -1.207 1.00 0.00 O ATOM 667 CB ASP A 42 21.676 2.911 -2.975 1.00 0.00 C ATOM 668 CG ASP A 42 23.158 3.019 -2.674 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.717 4.123 -2.836 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.759 1.998 -2.278 1.00 0.00 O ATOM 0 H ASP A 42 21.661 5.303 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 42 19.886 3.828 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.275 2.019 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.534 2.786 -4.049 1.00 0.00 H new ATOM 675 N GLU A 43 21.914 3.896 -0.313 1.00 0.00 N ATOM 676 CA GLU A 43 22.565 4.351 0.909 1.00 0.00 C ATOM 677 C GLU A 43 23.815 5.165 0.588 1.00 0.00 C ATOM 678 O GLU A 43 24.056 6.216 1.183 1.00 0.00 O ATOM 679 CB GLU A 43 22.933 3.157 1.793 1.00 0.00 C ATOM 680 CG GLU A 43 21.735 2.335 2.235 1.00 0.00 C ATOM 681 CD GLU A 43 21.675 2.152 3.739 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.533 3.167 4.454 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.771 0.996 4.201 1.00 0.00 O ATOM 0 H GLU A 43 21.752 2.890 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 43 21.865 4.989 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.624 2.513 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.461 3.518 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.820 2.821 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.773 1.357 1.755 1.00 0.00 H new ATOM 690 N LYS A 44 24.609 4.671 -0.356 1.00 0.00 N ATOM 691 CA LYS A 44 25.835 5.351 -0.758 1.00 0.00 C ATOM 692 C LYS A 44 25.543 6.430 -1.797 1.00 0.00 C ATOM 693 O LYS A 44 26.452 6.923 -2.465 1.00 0.00 O ATOM 694 CB LYS A 44 26.840 4.344 -1.322 1.00 0.00 C ATOM 695 CG LYS A 44 27.692 3.674 -0.258 1.00 0.00 C ATOM 696 CD LYS A 44 29.011 4.402 -0.059 1.00 0.00 C ATOM 697 CE LYS A 44 29.903 3.677 0.936 1.00 0.00 C ATOM 698 NZ LYS A 44 30.301 4.558 2.069 1.00 0.00 N ATOM 0 H LYS A 44 24.425 3.802 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 44 26.263 5.827 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.300 3.578 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.493 4.853 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.144 3.647 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.886 2.640 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.527 4.490 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.819 5.415 0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.380 2.802 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.796 3.315 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.908 4.027 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.822 5.380 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.450 4.883 2.571 1.00 0.00 H new ATOM 712 N ARG A 45 24.271 6.792 -1.926 1.00 0.00 N ATOM 713 CA ARG A 45 23.861 7.813 -2.882 1.00 0.00 C ATOM 714 C ARG A 45 24.103 7.344 -4.314 1.00 0.00 C ATOM 715 O ARG A 45 24.566 8.110 -5.158 1.00 0.00 O ATOM 716 CB ARG A 45 24.618 9.117 -2.626 1.00 0.00 C ATOM 717 CG ARG A 45 24.556 9.583 -1.180 1.00 0.00 C ATOM 718 CD ARG A 45 23.562 10.720 -1.004 1.00 0.00 C ATOM 719 NE ARG A 45 23.272 10.979 0.404 1.00 0.00 N ATOM 720 CZ ARG A 45 24.124 11.573 1.233 1.00 0.00 C ATOM 721 NH1 ARG A 45 25.313 11.966 0.797 1.00 0.00 N ATOM 722 NH2 ARG A 45 23.788 11.774 2.500 1.00 0.00 N ATOM 0 H ARG A 45 23.507 6.393 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 45 22.794 7.990 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.661 8.984 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.209 9.897 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.273 8.748 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.545 9.910 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.960 11.624 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.637 10.477 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 45 22.366 10.688 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.575 11.813 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 45 25.965 12.422 1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.875 11.473 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.443 12.230 3.135 1.00 0.00 H new ATOM 736 N ASN A 46 23.787 6.081 -4.580 1.00 0.00 N ATOM 737 CA ASN A 46 23.971 5.510 -5.909 1.00 0.00 C ATOM 738 C ASN A 46 22.629 5.316 -6.609 1.00 0.00 C ATOM 739 O ASN A 46 21.827 4.469 -6.213 1.00 0.00 O ATOM 740 CB ASN A 46 24.708 4.173 -5.815 1.00 0.00 C ATOM 741 CG ASN A 46 25.743 4.160 -4.706 1.00 0.00 C ATOM 742 OD1 ASN A 46 25.860 3.186 -3.962 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.501 5.245 -4.592 1.00 0.00 N ATOM 0 H ASN A 46 23.402 5.433 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 46 24.569 6.206 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.986 3.375 -5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.196 3.963 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.215 5.294 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.369 6.029 -5.231 1.00 0.00 H new ATOM 750 N LEU A 47 22.392 6.105 -7.651 1.00 0.00 N ATOM 751 CA LEU A 47 21.147 6.019 -8.407 1.00 0.00 C ATOM 752 C LEU A 47 21.086 4.725 -9.211 1.00 0.00 C ATOM 753 O LEU A 47 21.779 4.576 -10.218 1.00 0.00 O ATOM 754 CB LEU A 47 21.013 7.222 -9.343 1.00 0.00 C ATOM 755 CG LEU A 47 19.766 8.086 -9.150 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.835 9.325 -10.030 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.509 7.284 -9.452 1.00 0.00 C ATOM 0 H LEU A 47 23.045 6.811 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 47 20.319 6.023 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.892 7.854 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.025 6.860 -10.371 1.00 0.00 H new ATOM 0 HG LEU A 47 19.726 8.406 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.940 9.928 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.716 9.910 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.899 9.025 -11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.632 7.915 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.540 6.934 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.453 6.428 -8.780 1.00 0.00 H new ATOM 769 N GLN A 48 20.252 3.793 -8.762 1.00 0.00 N ATOM 770 CA GLN A 48 20.100 2.512 -9.441 1.00 0.00 C ATOM 771 C GLN A 48 18.672 2.328 -9.943 1.00 0.00 C ATOM 772 O GLN A 48 17.737 2.937 -9.422 1.00 0.00 O ATOM 773 CB GLN A 48 20.476 1.365 -8.502 1.00 0.00 C ATOM 774 CG GLN A 48 21.927 1.398 -8.050 1.00 0.00 C ATOM 775 CD GLN A 48 22.144 0.687 -6.729 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.014 -0.176 -6.611 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.351 1.046 -5.726 1.00 0.00 N ATOM 0 H GLN A 48 19.671 3.901 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 48 20.771 2.503 -10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.830 1.399 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.282 0.417 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.552 0.935 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.251 2.435 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.643 1.766 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.450 0.602 -4.813 1.00 0.00 H new ATOM 786 N CYS A 49 18.510 1.484 -10.956 1.00 0.00 N ATOM 787 CA CYS A 49 17.196 1.220 -11.530 1.00 0.00 C ATOM 788 C CYS A 49 16.393 0.277 -10.637 1.00 0.00 C ATOM 789 O CYS A 49 16.477 -0.944 -10.773 1.00 0.00 O ATOM 790 CB CYS A 49 17.339 0.617 -12.929 1.00 0.00 C ATOM 791 SG CYS A 49 15.752 0.294 -13.764 1.00 0.00 S ATOM 0 H CYS A 49 19.273 0.971 -11.397 1.00 0.00 H new ATOM 0 HA CYS A 49 16.661 2.167 -11.603 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.931 1.293 -13.546 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.896 -0.317 -12.855 1.00 0.00 H new ATOM 796 N ILE A 50 15.616 0.853 -9.726 1.00 0.00 N ATOM 797 CA ILE A 50 14.797 0.065 -8.813 1.00 0.00 C ATOM 798 C ILE A 50 13.434 -0.241 -9.423 1.00 0.00 C ATOM 799 O ILE A 50 12.719 0.662 -9.858 1.00 0.00 O ATOM 800 CB ILE A 50 14.596 0.790 -7.469 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.921 0.883 -6.711 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.549 0.072 -6.632 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.416 2.300 -6.529 1.00 0.00 C ATOM 0 H ILE A 50 15.536 1.862 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 50 15.330 -0.869 -8.636 1.00 0.00 H new ATOM 0 HB ILE A 50 14.242 1.802 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.803 0.420 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.677 0.309 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.418 0.596 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.602 0.054 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.876 -0.950 -6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.360 2.289 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.567 2.761 -7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.679 2.874 -5.967 1.00 0.00 H new ATOM 815 N CYS A 51 13.077 -1.521 -9.449 1.00 0.00 N ATOM 816 CA CYS A 51 11.798 -1.948 -10.003 1.00 0.00 C ATOM 817 C CYS A 51 10.791 -2.230 -8.892 1.00 0.00 C ATOM 818 O CYS A 51 11.157 -2.344 -7.722 1.00 0.00 O ATOM 819 CB CYS A 51 11.984 -3.197 -10.867 1.00 0.00 C ATOM 820 SG CYS A 51 13.394 -3.102 -12.017 1.00 0.00 S ATOM 0 H CYS A 51 13.656 -2.281 -9.092 1.00 0.00 H new ATOM 0 HA CYS A 51 11.411 -1.140 -10.623 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.118 -4.060 -10.215 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.073 -3.369 -11.440 1.00 0.00 H new ATOM 825 N ASP A 52 9.521 -2.341 -9.267 1.00 0.00 N ATOM 826 CA ASP A 52 8.460 -2.610 -8.304 1.00 0.00 C ATOM 827 C ASP A 52 7.866 -3.998 -8.524 1.00 0.00 C ATOM 828 O ASP A 52 7.346 -4.298 -9.599 1.00 0.00 O ATOM 829 CB ASP A 52 7.363 -1.550 -8.410 1.00 0.00 C ATOM 830 CG ASP A 52 7.404 -0.805 -9.730 1.00 0.00 C ATOM 831 OD1 ASP A 52 7.500 -1.469 -10.784 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.340 0.442 -9.710 1.00 0.00 O ATOM 0 H ASP A 52 9.202 -2.249 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 52 8.893 -2.573 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.389 -2.026 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.469 -0.839 -7.591 1.00 0.00 H new ATOM 837 N TYR A 53 7.948 -4.840 -7.500 1.00 0.00 N ATOM 838 CA TYR A 53 7.422 -6.198 -7.583 1.00 0.00 C ATOM 839 C TYR A 53 6.277 -6.399 -6.595 1.00 0.00 C ATOM 840 O TYR A 53 6.491 -6.465 -5.384 1.00 0.00 O ATOM 841 CB TYR A 53 8.531 -7.215 -7.310 1.00 0.00 C ATOM 842 CG TYR A 53 9.163 -7.773 -8.565 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.213 -7.113 -9.191 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.709 -8.961 -9.126 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.793 -7.619 -10.338 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.283 -9.475 -10.272 1.00 0.00 C ATOM 847 CZ TYR A 53 10.325 -8.801 -10.874 1.00 0.00 C ATOM 848 OH TYR A 53 10.899 -9.309 -12.017 1.00 0.00 O ATOM 0 H TYR A 53 8.373 -4.607 -6.603 1.00 0.00 H new ATOM 0 HA TYR A 53 7.039 -6.351 -8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.304 -6.743 -6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.122 -8.037 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.582 -6.188 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.893 -9.491 -8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.608 -7.092 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.918 -10.400 -10.695 1.00 0.00 H new ATOM 0 HH TYR A 53 10.210 -9.427 -12.704 1.00 0.00 H new ATOM 858 N CYS A 54 5.061 -6.497 -7.121 1.00 0.00 N ATOM 859 CA CYS A 54 3.880 -6.692 -6.287 1.00 0.00 C ATOM 860 C CYS A 54 2.662 -7.030 -7.141 1.00 0.00 C ATOM 861 O CYS A 54 2.048 -8.084 -6.974 1.00 0.00 O ATOM 862 CB CYS A 54 3.603 -5.436 -5.458 1.00 0.00 C ATOM 863 SG CYS A 54 4.082 -5.581 -3.707 1.00 0.00 S ATOM 0 H CYS A 54 4.867 -6.445 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 54 4.074 -7.528 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.137 -4.596 -5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.540 -5.203 -5.515 1.00 0.00 H new ATOM 868 N GLU A 55 2.318 -6.129 -8.056 1.00 0.00 N ATOM 869 CA GLU A 55 1.173 -6.333 -8.935 1.00 0.00 C ATOM 870 C GLU A 55 1.625 -6.558 -10.375 1.00 0.00 C ATOM 871 O GLU A 55 2.812 -6.753 -10.641 1.00 0.00 O ATOM 872 CB GLU A 55 0.230 -5.129 -8.868 1.00 0.00 C ATOM 873 CG GLU A 55 -0.145 -4.728 -7.451 1.00 0.00 C ATOM 874 CD GLU A 55 -1.114 -3.562 -7.412 1.00 0.00 C ATOM 875 OE1 GLU A 55 -2.164 -3.642 -8.084 1.00 0.00 O ATOM 876 OE2 GLU A 55 -0.823 -2.571 -6.711 1.00 0.00 O ATOM 0 H GLU A 55 2.816 -5.252 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 55 0.642 -7.222 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.702 -4.281 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.679 -5.358 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.590 -5.583 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.758 -4.464 -6.901 1.00 0.00 H new ATOM 883 N TYR A 56 0.672 -6.531 -11.299 1.00 0.00 N ATOM 884 CA TYR A 56 0.971 -6.736 -12.712 1.00 0.00 C ATOM 885 C TYR A 56 -0.122 -6.136 -13.592 1.00 0.00 C ATOM 886 O TYR A 56 0.163 -5.521 -14.618 1.00 0.00 O ATOM 887 CB TYR A 56 1.122 -8.228 -13.012 1.00 0.00 C ATOM 888 CG TYR A 56 -0.154 -9.017 -12.819 1.00 0.00 C ATOM 889 CD1 TYR A 56 -0.639 -9.290 -11.546 1.00 0.00 C ATOM 890 CD2 TYR A 56 -0.874 -9.488 -13.910 1.00 0.00 C ATOM 891 CE1 TYR A 56 -1.803 -10.011 -11.365 1.00 0.00 C ATOM 892 CE2 TYR A 56 -2.040 -10.208 -13.738 1.00 0.00 C ATOM 893 CZ TYR A 56 -2.501 -10.467 -12.464 1.00 0.00 C ATOM 894 OH TYR A 56 -3.662 -11.184 -12.288 1.00 0.00 O ATOM 0 H TYR A 56 -0.314 -6.369 -11.096 1.00 0.00 H new ATOM 0 HA TYR A 56 1.911 -6.231 -12.936 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.463 -8.351 -14.040 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.897 -8.643 -12.367 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.097 -8.932 -10.683 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.516 -9.288 -14.909 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.165 -10.217 -10.368 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.588 -10.566 -14.597 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.031 -11.430 -13.162 1.00 0.00 H new TER 904 TYR A 56