USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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= -0.154 K(o=-2.2,f=-3.4!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.03 K(o=-2.2,f=-4.2) 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 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 110:sc= -0.936 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= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0.755 (180deg=0.323!) USER MOD Single : A 33 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.04) USER MOD Single : A 36 SER OG : rot 180:sc= -0.16 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0282 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.207 K(o=-0.21,f=-0.92) USER MOD Single : A 48 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6.1!) USER MOD Single : A 53 TYR OH : rot -127:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.079 -2.369 -1.969 1.00 0.00 N ATOM 53 CA CYS A 4 7.829 -3.426 -2.635 1.00 0.00 C ATOM 54 C CYS A 4 8.623 -2.871 -3.814 1.00 0.00 C ATOM 55 O CYS A 4 8.135 -2.022 -4.561 1.00 0.00 O ATOM 56 CB CYS A 4 6.882 -4.527 -3.117 1.00 0.00 C ATOM 57 SG CYS A 4 5.322 -4.627 -2.181 1.00 0.00 S ATOM 0 HA CYS A 4 8.530 -3.848 -1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.652 -4.359 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.395 -5.487 -3.052 1.00 0.00 H new ATOM 62 N LYS A 5 9.850 -3.356 -3.975 1.00 0.00 N ATOM 63 CA LYS A 5 10.712 -2.911 -5.063 1.00 0.00 C ATOM 64 C LYS A 5 11.918 -3.832 -5.213 1.00 0.00 C ATOM 65 O LYS A 5 12.134 -4.728 -4.397 1.00 0.00 O ATOM 66 CB LYS A 5 11.181 -1.475 -4.815 1.00 0.00 C ATOM 67 CG LYS A 5 11.840 -1.276 -3.461 1.00 0.00 C ATOM 68 CD LYS A 5 13.294 -1.717 -3.477 1.00 0.00 C ATOM 69 CE LYS A 5 14.214 -0.621 -2.962 1.00 0.00 C ATOM 70 NZ LYS A 5 15.585 -1.134 -2.684 1.00 0.00 N ATOM 0 H LYS A 5 10.270 -4.058 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 5 10.135 -2.944 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.885 -1.191 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.326 -0.803 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.781 -0.225 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.296 -1.841 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.411 -2.610 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.582 -1.988 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.269 0.182 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.795 -0.193 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.182 -0.357 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.536 -1.883 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.995 -1.520 -3.558 1.00 0.00 H new ATOM 84 N LYS A 6 12.703 -3.606 -6.261 1.00 0.00 N ATOM 85 CA LYS A 6 13.890 -4.414 -6.518 1.00 0.00 C ATOM 86 C LYS A 6 14.939 -3.612 -7.280 1.00 0.00 C ATOM 87 O LYS A 6 14.737 -3.250 -8.439 1.00 0.00 O ATOM 88 CB LYS A 6 13.516 -5.668 -7.310 1.00 0.00 C ATOM 89 CG LYS A 6 12.743 -6.693 -6.498 1.00 0.00 C ATOM 90 CD LYS A 6 12.682 -8.035 -7.207 1.00 0.00 C ATOM 91 CE LYS A 6 13.660 -9.030 -6.602 1.00 0.00 C ATOM 92 NZ LYS A 6 13.903 -10.189 -7.505 1.00 0.00 N ATOM 0 H LYS A 6 12.539 -2.869 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 6 14.312 -4.711 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.919 -5.377 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.426 -6.131 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.214 -6.817 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.731 -6.329 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.670 -8.435 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.907 -7.899 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.605 -8.529 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.271 -9.388 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.575 -10.844 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.006 -10.683 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.298 -9.851 -8.405 1.00 0.00 H new ATOM 106 N VAL A 7 16.062 -3.338 -6.622 1.00 0.00 N ATOM 107 CA VAL A 7 17.144 -2.581 -7.239 1.00 0.00 C ATOM 108 C VAL A 7 17.884 -3.423 -8.274 1.00 0.00 C ATOM 109 O VAL A 7 18.087 -4.622 -8.083 1.00 0.00 O ATOM 110 CB VAL A 7 18.151 -2.081 -6.186 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.921 -3.248 -5.587 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.101 -1.063 -6.799 1.00 0.00 C ATOM 0 H VAL A 7 16.245 -3.629 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 7 16.688 -1.722 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 7 17.599 -1.592 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.628 -2.875 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.224 -3.937 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.464 -3.769 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.806 -0.720 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.648 -1.525 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.531 -0.213 -7.175 1.00 0.00 H new ATOM 122 N TYR A 8 18.283 -2.787 -9.369 1.00 0.00 N ATOM 123 CA TYR A 8 18.998 -3.477 -10.436 1.00 0.00 C ATOM 124 C TYR A 8 20.429 -2.960 -10.557 1.00 0.00 C ATOM 125 O TYR A 8 20.717 -2.088 -11.376 1.00 0.00 O ATOM 126 CB TYR A 8 18.266 -3.301 -11.767 1.00 0.00 C ATOM 127 CG TYR A 8 18.703 -4.280 -12.833 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.936 -5.615 -12.524 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.882 -3.872 -14.148 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.336 -6.513 -13.494 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.280 -4.764 -15.125 1.00 0.00 C ATOM 132 CZ TYR A 8 19.506 -6.083 -14.793 1.00 0.00 C ATOM 133 OH TYR A 8 19.904 -6.974 -15.763 1.00 0.00 O ATOM 0 H TYR A 8 18.124 -1.794 -9.541 1.00 0.00 H new ATOM 0 HA TYR A 8 19.034 -4.538 -10.187 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.195 -3.413 -11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.428 -2.286 -12.130 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.802 -5.956 -11.508 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.707 -2.839 -14.412 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.515 -7.547 -13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.413 -4.430 -16.143 1.00 0.00 H new ATOM 0 HH TYR A 8 19.976 -6.510 -16.623 1.00 0.00 H new ATOM 143 N GLU A 9 21.320 -3.505 -9.734 1.00 0.00 N ATOM 144 CA GLU A 9 22.720 -3.098 -9.749 1.00 0.00 C ATOM 145 C GLU A 9 23.318 -3.255 -11.144 1.00 0.00 C ATOM 146 O GLU A 9 24.320 -2.623 -11.476 1.00 0.00 O ATOM 147 CB GLU A 9 23.524 -3.923 -8.742 1.00 0.00 C ATOM 148 CG GLU A 9 22.944 -3.904 -7.337 1.00 0.00 C ATOM 149 CD GLU A 9 23.738 -3.026 -6.390 1.00 0.00 C ATOM 150 OE1 GLU A 9 23.596 -1.788 -6.469 1.00 0.00 O ATOM 151 OE2 GLU A 9 24.502 -3.577 -5.570 1.00 0.00 O ATOM 0 H GLU A 9 21.097 -4.228 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 9 22.769 -2.046 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.577 -4.955 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.546 -3.545 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.914 -3.549 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.916 -4.921 -6.946 1.00 0.00 H new ATOM 158 N ASN A 10 22.695 -4.103 -11.956 1.00 0.00 N ATOM 159 CA ASN A 10 23.166 -4.344 -13.315 1.00 0.00 C ATOM 160 C ASN A 10 22.538 -3.355 -14.292 1.00 0.00 C ATOM 161 O ASN A 10 21.980 -3.748 -15.317 1.00 0.00 O ATOM 162 CB ASN A 10 22.840 -5.777 -13.743 1.00 0.00 C ATOM 163 CG ASN A 10 23.871 -6.775 -13.253 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.666 -7.298 -14.035 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.862 -7.045 -11.953 1.00 0.00 N ATOM 0 H ASN A 10 21.864 -4.634 -11.697 1.00 0.00 H new ATOM 0 HA ASN A 10 24.247 -4.204 -13.328 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.859 -6.054 -13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.781 -5.824 -14.830 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.532 -7.709 -11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.185 -6.588 -11.342 1.00 0.00 H new ATOM 172 N TYR A 11 22.634 -2.070 -13.968 1.00 0.00 N ATOM 173 CA TYR A 11 22.075 -1.024 -14.815 1.00 0.00 C ATOM 174 C TYR A 11 22.889 0.261 -14.704 1.00 0.00 C ATOM 175 O TYR A 11 23.340 0.649 -13.626 1.00 0.00 O ATOM 176 CB TYR A 11 20.618 -0.754 -14.434 1.00 0.00 C ATOM 177 CG TYR A 11 19.726 -0.463 -15.619 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.372 -1.469 -16.510 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.236 0.817 -15.848 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.557 -1.208 -17.594 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.420 1.086 -16.929 1.00 0.00 C ATOM 182 CZ TYR A 11 18.083 0.071 -17.799 1.00 0.00 C ATOM 183 OH TYR A 11 17.271 0.336 -18.878 1.00 0.00 O ATOM 0 H TYR A 11 23.094 -1.728 -13.124 1.00 0.00 H new ATOM 0 HA TYR A 11 22.115 -1.369 -15.848 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.225 -1.618 -13.898 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.582 0.091 -13.746 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.740 -2.472 -16.352 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.498 1.615 -15.169 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.292 -2.001 -18.278 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.048 2.087 -17.092 1.00 0.00 H new ATOM 0 HH TYR A 11 16.359 0.513 -18.566 1.00 0.00 H new ATOM 193 N PRO A 12 23.082 0.939 -15.845 1.00 0.00 N ATOM 194 CA PRO A 12 23.841 2.192 -15.902 1.00 0.00 C ATOM 195 C PRO A 12 23.108 3.346 -15.226 1.00 0.00 C ATOM 196 O PRO A 12 21.952 3.629 -15.541 1.00 0.00 O ATOM 197 CB PRO A 12 23.980 2.454 -17.404 1.00 0.00 C ATOM 198 CG PRO A 12 22.822 1.748 -18.020 1.00 0.00 C ATOM 199 CD PRO A 12 22.574 0.535 -17.166 1.00 0.00 C ATOM 0 HA PRO A 12 24.794 2.115 -15.378 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.955 3.521 -17.624 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.926 2.071 -17.787 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.943 2.392 -18.048 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.041 1.463 -19.049 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.515 0.280 -17.128 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.100 -0.340 -17.548 1.00 0.00 H new ATOM 207 N VAL A 13 23.788 4.008 -14.296 1.00 0.00 N ATOM 208 CA VAL A 13 23.201 5.133 -13.576 1.00 0.00 C ATOM 209 C VAL A 13 22.960 6.316 -14.507 1.00 0.00 C ATOM 210 O VAL A 13 22.180 7.215 -14.196 1.00 0.00 O ATOM 211 CB VAL A 13 24.103 5.585 -12.412 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.536 4.391 -11.576 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.311 6.345 -12.938 1.00 0.00 C ATOM 0 H VAL A 13 24.745 3.786 -14.023 1.00 0.00 H new ATOM 0 HA VAL A 13 22.247 4.790 -13.175 1.00 0.00 H new ATOM 0 HB VAL A 13 23.531 6.257 -11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.172 4.731 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.656 3.894 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.091 3.691 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.937 6.657 -12.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.886 5.699 -13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.976 7.224 -13.488 1.00 0.00 H new ATOM 223 N SER A 14 23.635 6.308 -15.652 1.00 0.00 N ATOM 224 CA SER A 14 23.497 7.382 -16.629 1.00 0.00 C ATOM 225 C SER A 14 22.092 7.397 -17.224 1.00 0.00 C ATOM 226 O SER A 14 21.406 8.419 -17.201 1.00 0.00 O ATOM 227 CB SER A 14 24.534 7.224 -17.742 1.00 0.00 C ATOM 228 OG SER A 14 25.409 8.337 -17.785 1.00 0.00 O ATOM 0 H SER A 14 24.283 5.570 -15.926 1.00 0.00 H new ATOM 0 HA SER A 14 23.666 8.330 -16.118 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.109 6.312 -17.581 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.029 7.117 -18.702 1.00 0.00 H new ATOM 0 HG SER A 14 26.063 8.211 -18.504 1.00 0.00 H new ATOM 234 N LYS A 15 21.671 6.256 -17.759 1.00 0.00 N ATOM 235 CA LYS A 15 20.348 6.135 -18.360 1.00 0.00 C ATOM 236 C LYS A 15 19.257 6.468 -17.348 1.00 0.00 C ATOM 237 O LYS A 15 18.147 6.849 -17.719 1.00 0.00 O ATOM 238 CB LYS A 15 20.140 4.719 -18.903 1.00 0.00 C ATOM 239 CG LYS A 15 20.276 4.621 -20.413 1.00 0.00 C ATOM 240 CD LYS A 15 19.619 3.361 -20.951 1.00 0.00 C ATOM 241 CE LYS A 15 20.636 2.434 -21.598 1.00 0.00 C ATOM 242 NZ LYS A 15 20.039 1.646 -22.712 1.00 0.00 N ATOM 0 H LYS A 15 22.227 5.401 -17.789 1.00 0.00 H new ATOM 0 HA LYS A 15 20.284 6.847 -19.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.864 4.050 -18.437 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.149 4.369 -18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.822 5.496 -20.878 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.331 4.627 -20.685 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.114 2.838 -20.139 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.855 3.631 -21.681 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.473 3.021 -21.976 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.037 1.754 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.764 1.027 -23.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.256 1.067 -22.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.679 2.294 -23.441 1.00 0.00 H new ATOM 256 N CYS A 16 19.581 6.323 -16.067 1.00 0.00 N ATOM 257 CA CYS A 16 18.629 6.610 -15.000 1.00 0.00 C ATOM 258 C CYS A 16 18.403 8.112 -14.862 1.00 0.00 C ATOM 259 O CYS A 16 17.265 8.582 -14.874 1.00 0.00 O ATOM 260 CB CYS A 16 19.130 6.034 -13.674 1.00 0.00 C ATOM 261 SG CYS A 16 18.549 4.342 -13.331 1.00 0.00 S ATOM 0 H CYS A 16 20.496 6.008 -15.743 1.00 0.00 H new ATOM 0 HA CYS A 16 17.680 6.140 -15.257 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.220 6.039 -13.677 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.811 6.688 -12.862 1.00 0.00 H new ATOM 266 N GLN A 17 19.494 8.860 -14.732 1.00 0.00 N ATOM 267 CA GLN A 17 19.414 10.309 -14.591 1.00 0.00 C ATOM 268 C GLN A 17 18.761 10.940 -15.817 1.00 0.00 C ATOM 269 O GLN A 17 18.309 12.085 -15.772 1.00 0.00 O ATOM 270 CB GLN A 17 20.809 10.900 -14.381 1.00 0.00 C ATOM 271 CG GLN A 17 21.421 10.552 -13.034 1.00 0.00 C ATOM 272 CD GLN A 17 22.700 9.749 -13.163 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.440 9.892 -14.137 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.968 8.899 -12.179 1.00 0.00 N ATOM 0 H GLN A 17 20.443 8.487 -14.721 1.00 0.00 H new ATOM 0 HA GLN A 17 18.798 10.530 -13.719 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.468 10.544 -15.173 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.753 11.984 -14.476 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.627 11.471 -12.485 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.699 9.985 -12.447 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.327 8.813 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.815 8.332 -12.211 1.00 0.00 H new ATOM 283 N LEU A 18 18.715 10.187 -16.910 1.00 0.00 N ATOM 284 CA LEU A 18 18.118 10.672 -18.149 1.00 0.00 C ATOM 285 C LEU A 18 16.601 10.774 -18.019 1.00 0.00 C ATOM 286 O LEU A 18 15.870 9.885 -18.454 1.00 0.00 O ATOM 287 CB LEU A 18 18.480 9.745 -19.311 1.00 0.00 C ATOM 288 CG LEU A 18 19.704 10.147 -20.134 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.373 8.918 -20.730 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.312 11.128 -21.229 1.00 0.00 C ATOM 0 H LEU A 18 19.084 9.238 -16.963 1.00 0.00 H new ATOM 0 HA LEU A 18 18.515 11.667 -18.349 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.648 8.744 -18.913 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.622 9.682 -19.980 1.00 0.00 H new ATOM 0 HG LEU A 18 20.417 10.639 -19.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.242 9.223 -21.312 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.690 8.251 -19.928 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.667 8.397 -21.377 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.196 11.403 -21.805 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.579 10.663 -21.889 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.879 12.022 -20.779 1.00 0.00 H new ATOM 302 N ARG A 19 16.136 11.865 -17.419 1.00 0.00 N ATOM 303 CA ARG A 19 14.707 12.084 -17.232 1.00 0.00 C ATOM 304 C ARG A 19 13.980 12.098 -18.573 1.00 0.00 C ATOM 305 O ARG A 19 12.764 11.912 -18.633 1.00 0.00 O ATOM 306 CB ARG A 19 14.463 13.401 -16.494 1.00 0.00 C ATOM 307 CG ARG A 19 14.140 13.222 -15.019 1.00 0.00 C ATOM 308 CD ARG A 19 12.671 12.892 -14.807 1.00 0.00 C ATOM 309 NE ARG A 19 12.392 12.501 -13.428 1.00 0.00 N ATOM 310 CZ ARG A 19 11.232 11.991 -13.029 1.00 0.00 C ATOM 311 NH1 ARG A 19 10.249 11.812 -13.900 1.00 0.00 N ATOM 312 NH2 ARG A 19 11.054 11.659 -11.757 1.00 0.00 N ATOM 0 H ARG A 19 16.728 12.611 -17.054 1.00 0.00 H new ATOM 0 HA ARG A 19 14.314 11.262 -16.633 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.348 14.031 -16.590 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.641 13.931 -16.976 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.757 12.425 -14.604 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.391 14.134 -14.477 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.063 13.758 -15.068 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.380 12.084 -15.479 1.00 0.00 H new ATOM 0 HE ARG A 19 13.128 12.626 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.382 12.066 -14.879 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.359 11.420 -13.591 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.808 11.795 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.163 11.268 -11.452 1.00 0.00 H new ATOM 326 N ILE A 20 14.731 12.320 -19.646 1.00 0.00 N ATOM 327 CA ILE A 20 14.158 12.358 -20.986 1.00 0.00 C ATOM 328 C ILE A 20 13.938 10.950 -21.529 1.00 0.00 C ATOM 329 O ILE A 20 12.824 10.587 -21.905 1.00 0.00 O ATOM 330 CB ILE A 20 15.059 13.138 -21.962 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.565 14.424 -21.306 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.303 13.452 -23.244 1.00 0.00 C ATOM 333 CD1 ILE A 20 14.466 15.416 -20.994 1.00 0.00 C ATOM 0 H ILE A 20 15.738 12.476 -19.614 1.00 0.00 H new ATOM 0 HA ILE A 20 13.198 12.868 -20.905 1.00 0.00 H new ATOM 0 HB ILE A 20 15.920 12.518 -22.214 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.087 14.171 -20.383 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.293 14.896 -21.965 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.953 14.003 -23.924 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.988 12.522 -23.718 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.426 14.056 -23.011 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.897 16.303 -20.531 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.958 15.699 -21.916 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.749 14.962 -20.310 1.00 0.00 H new ATOM 345 N ALA A 21 15.007 10.162 -21.566 1.00 0.00 N ATOM 346 CA ALA A 21 14.930 8.793 -22.059 1.00 0.00 C ATOM 347 C ALA A 21 15.187 7.790 -20.939 1.00 0.00 C ATOM 348 O ALA A 21 16.186 7.072 -20.954 1.00 0.00 O ATOM 349 CB ALA A 21 15.921 8.584 -23.195 1.00 0.00 C ATOM 0 H ALA A 21 15.937 10.448 -21.260 1.00 0.00 H new ATOM 0 HA ALA A 21 13.921 8.626 -22.436 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.852 7.557 -23.553 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.689 9.269 -24.011 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.932 8.776 -22.836 1.00 0.00 H new ATOM 355 N ASN A 22 14.279 7.748 -19.970 1.00 0.00 N ATOM 356 CA ASN A 22 14.409 6.833 -18.841 1.00 0.00 C ATOM 357 C ASN A 22 14.155 5.393 -19.275 1.00 0.00 C ATOM 358 O ASN A 22 13.037 4.890 -19.167 1.00 0.00 O ATOM 359 CB ASN A 22 13.433 7.222 -17.728 1.00 0.00 C ATOM 360 CG ASN A 22 14.013 6.997 -16.345 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.207 7.196 -16.121 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.168 6.578 -15.410 1.00 0.00 N ATOM 0 H ASN A 22 13.446 8.336 -19.943 1.00 0.00 H new ATOM 0 HA ASN A 22 15.429 6.905 -18.463 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.160 8.272 -17.838 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.516 6.642 -17.833 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.501 6.408 -14.461 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.186 6.426 -15.641 1.00 0.00 H new ATOM 369 N GLN A 23 15.200 4.736 -19.766 1.00 0.00 N ATOM 370 CA GLN A 23 15.090 3.354 -20.217 1.00 0.00 C ATOM 371 C GLN A 23 15.029 2.397 -19.031 1.00 0.00 C ATOM 372 O GLN A 23 14.846 1.191 -19.200 1.00 0.00 O ATOM 373 CB GLN A 23 16.273 2.993 -21.118 1.00 0.00 C ATOM 374 CG GLN A 23 15.874 2.683 -22.551 1.00 0.00 C ATOM 375 CD GLN A 23 15.371 1.264 -22.724 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.062 0.302 -22.386 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.161 1.124 -23.252 1.00 0.00 N ATOM 0 H GLN A 23 16.132 5.138 -19.862 1.00 0.00 H new ATOM 0 HA GLN A 23 14.166 3.257 -20.787 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.984 3.819 -21.118 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.788 2.129 -20.698 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.098 3.380 -22.867 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.731 2.843 -23.205 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.622 1.948 -23.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.770 0.192 -23.392 1.00 0.00 H new ATOM 386 N CYS A 24 15.183 2.943 -17.829 1.00 0.00 N ATOM 387 CA CYS A 24 15.146 2.139 -16.613 1.00 0.00 C ATOM 388 C CYS A 24 13.753 1.559 -16.387 1.00 0.00 C ATOM 389 O CYS A 24 13.569 0.343 -16.379 1.00 0.00 O ATOM 390 CB CYS A 24 15.562 2.982 -15.406 1.00 0.00 C ATOM 391 SG CYS A 24 15.206 2.205 -13.798 1.00 0.00 S ATOM 0 H CYS A 24 15.335 3.939 -17.671 1.00 0.00 H new ATOM 0 HA CYS A 24 15.849 1.314 -16.731 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.631 3.186 -15.470 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.050 3.943 -15.454 1.00 0.00 H new ATOM 396 N ASN A 25 12.774 2.440 -16.203 1.00 0.00 N ATOM 397 CA ASN A 25 11.397 2.016 -15.976 1.00 0.00 C ATOM 398 C ASN A 25 10.919 1.099 -17.097 1.00 0.00 C ATOM 399 O ASN A 25 10.202 0.127 -16.855 1.00 0.00 O ATOM 400 CB ASN A 25 10.478 3.234 -15.871 1.00 0.00 C ATOM 401 CG ASN A 25 10.312 3.950 -17.197 1.00 0.00 C ATOM 402 OD1 ASN A 25 11.046 4.890 -17.504 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.345 3.507 -17.992 1.00 0.00 N ATOM 0 H ASN A 25 12.909 3.451 -16.207 1.00 0.00 H new ATOM 0 HA ASN A 25 11.363 1.462 -15.038 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.500 2.918 -15.507 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.883 3.928 -15.135 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.187 3.949 -18.898 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.760 2.725 -17.697 1.00 0.00 H new ATOM 410 N TYR A 26 11.320 1.413 -18.323 1.00 0.00 N ATOM 411 CA TYR A 26 10.931 0.619 -19.483 1.00 0.00 C ATOM 412 C TYR A 26 11.636 -0.734 -19.477 1.00 0.00 C ATOM 413 O TYR A 26 11.040 -1.759 -19.808 1.00 0.00 O ATOM 414 CB TYR A 26 11.256 1.371 -20.775 1.00 0.00 C ATOM 415 CG TYR A 26 10.177 1.259 -21.828 1.00 0.00 C ATOM 416 CD1 TYR A 26 10.086 0.136 -22.641 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.248 2.276 -22.010 1.00 0.00 C ATOM 418 CE1 TYR A 26 9.103 0.029 -23.605 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.260 2.177 -22.971 1.00 0.00 C ATOM 420 CZ TYR A 26 8.192 1.052 -23.766 1.00 0.00 C ATOM 421 OH TYR A 26 7.210 0.951 -24.724 1.00 0.00 O ATOM 0 H TYR A 26 11.915 2.213 -18.540 1.00 0.00 H new ATOM 0 HA TYR A 26 9.856 0.449 -19.431 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.417 2.424 -20.542 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.191 0.988 -21.183 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.797 -0.668 -22.517 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.299 3.159 -21.390 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.048 -0.851 -24.229 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.545 2.976 -23.099 1.00 0.00 H new ATOM 0 HH TYR A 26 6.651 1.756 -24.706 1.00 0.00 H new ATOM 431 N ASP A 27 12.910 -0.728 -19.099 1.00 0.00 N ATOM 432 CA ASP A 27 13.698 -1.954 -19.048 1.00 0.00 C ATOM 433 C ASP A 27 13.157 -2.904 -17.984 1.00 0.00 C ATOM 434 O ASP A 27 13.088 -4.115 -18.194 1.00 0.00 O ATOM 435 CB ASP A 27 15.165 -1.631 -18.763 1.00 0.00 C ATOM 436 CG ASP A 27 15.939 -2.839 -18.273 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.361 -3.656 -19.118 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.123 -2.968 -17.044 1.00 0.00 O ATOM 0 H ASP A 27 13.419 0.112 -18.824 1.00 0.00 H new ATOM 0 HA ASP A 27 13.624 -2.445 -20.018 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.632 -1.247 -19.670 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.221 -0.839 -18.016 1.00 0.00 H new ATOM 443 N CYS A 28 12.775 -2.346 -16.840 1.00 0.00 N ATOM 444 CA CYS A 28 12.242 -3.143 -15.741 1.00 0.00 C ATOM 445 C CYS A 28 11.069 -3.999 -16.209 1.00 0.00 C ATOM 446 O CYS A 28 11.106 -5.227 -16.116 1.00 0.00 O ATOM 447 CB CYS A 28 11.798 -2.233 -14.593 1.00 0.00 C ATOM 448 SG CYS A 28 13.155 -1.692 -13.505 1.00 0.00 S ATOM 0 H CYS A 28 12.825 -1.345 -16.650 1.00 0.00 H new ATOM 0 HA CYS A 28 13.033 -3.804 -15.387 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.308 -1.353 -15.010 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.054 -2.758 -13.994 1.00 0.00 H new ATOM 453 N LYS A 29 10.029 -3.344 -16.713 1.00 0.00 N ATOM 454 CA LYS A 29 8.845 -4.043 -17.198 1.00 0.00 C ATOM 455 C LYS A 29 9.192 -4.946 -18.378 1.00 0.00 C ATOM 456 O LYS A 29 8.560 -5.983 -18.585 1.00 0.00 O ATOM 457 CB LYS A 29 7.767 -3.039 -17.610 1.00 0.00 C ATOM 458 CG LYS A 29 7.456 -2.007 -16.540 1.00 0.00 C ATOM 459 CD LYS A 29 6.821 -0.761 -17.134 1.00 0.00 C ATOM 460 CE LYS A 29 5.364 -0.998 -17.498 1.00 0.00 C ATOM 461 NZ LYS A 29 4.443 -0.179 -16.662 1.00 0.00 N ATOM 0 H LYS A 29 9.982 -2.328 -16.796 1.00 0.00 H new ATOM 0 HA LYS A 29 8.463 -4.664 -16.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.088 -2.525 -18.516 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.854 -3.580 -17.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.784 -2.441 -15.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.373 -1.735 -16.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.890 0.060 -16.420 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.374 -0.458 -18.023 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.209 -0.759 -18.550 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.126 -2.054 -17.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.502 -0.155 -17.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.369 -0.599 -15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.814 0.789 -16.584 1.00 0.00 H new ATOM 475 N LEU A 30 10.198 -4.546 -19.147 1.00 0.00 N ATOM 476 CA LEU A 30 10.630 -5.320 -20.305 1.00 0.00 C ATOM 477 C LEU A 30 10.967 -6.754 -19.908 1.00 0.00 C ATOM 478 O LEU A 30 10.469 -7.708 -20.505 1.00 0.00 O ATOM 479 CB LEU A 30 11.845 -4.661 -20.960 1.00 0.00 C ATOM 480 CG LEU A 30 12.158 -5.101 -22.391 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.535 -3.901 -23.247 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.273 -6.136 -22.399 1.00 0.00 C ATOM 0 H LEU A 30 10.730 -3.690 -18.990 1.00 0.00 H new ATOM 0 HA LEU A 30 9.808 -5.345 -21.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.693 -3.582 -20.958 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.719 -4.861 -20.340 1.00 0.00 H new ATOM 0 HG LEU A 30 11.264 -5.558 -22.815 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.754 -4.233 -24.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.706 -3.194 -23.268 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.415 -3.416 -22.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.482 -6.437 -23.425 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.172 -5.706 -21.957 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.965 -7.007 -21.821 1.00 0.00 H new ATOM 494 N ASP A 31 11.815 -6.897 -18.895 1.00 0.00 N ATOM 495 CA ASP A 31 12.217 -8.215 -18.415 1.00 0.00 C ATOM 496 C ASP A 31 11.594 -8.510 -17.054 1.00 0.00 C ATOM 497 O ASP A 31 10.715 -9.364 -16.933 1.00 0.00 O ATOM 498 CB ASP A 31 13.741 -8.304 -18.323 1.00 0.00 C ATOM 499 CG ASP A 31 14.346 -9.075 -19.479 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.264 -8.586 -20.626 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.903 -10.166 -19.238 1.00 0.00 O ATOM 0 H ASP A 31 12.237 -6.117 -18.391 1.00 0.00 H new ATOM 0 HA ASP A 31 11.860 -8.959 -19.127 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.160 -7.298 -18.302 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.018 -8.785 -17.385 1.00 0.00 H new ATOM 506 N LYS A 32 12.056 -7.799 -16.031 1.00 0.00 N ATOM 507 CA LYS A 32 11.546 -7.984 -14.677 1.00 0.00 C ATOM 508 C LYS A 32 10.020 -7.968 -14.664 1.00 0.00 C ATOM 509 O LYS A 32 9.390 -8.633 -13.842 1.00 0.00 O ATOM 510 CB LYS A 32 12.085 -6.890 -13.753 1.00 0.00 C ATOM 511 CG LYS A 32 13.597 -6.750 -13.795 1.00 0.00 C ATOM 512 CD LYS A 32 14.176 -6.533 -12.407 1.00 0.00 C ATOM 513 CE LYS A 32 15.686 -6.359 -12.453 1.00 0.00 C ATOM 514 NZ LYS A 32 16.260 -6.132 -11.098 1.00 0.00 N ATOM 0 H LYS A 32 12.783 -7.089 -16.114 1.00 0.00 H new ATOM 0 HA LYS A 32 11.886 -8.955 -14.317 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.632 -5.938 -14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.777 -7.105 -12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.034 -7.646 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.868 -5.913 -14.438 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.721 -5.651 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.926 -7.382 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.140 -7.245 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.935 -5.517 -13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.248 -5.818 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.708 -5.401 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.226 -7.018 -10.554 1.00 0.00 H new ATOM 528 N HIS A 33 9.433 -7.206 -15.582 1.00 0.00 N ATOM 529 CA HIS A 33 7.981 -7.106 -15.677 1.00 0.00 C ATOM 530 C HIS A 33 7.399 -6.444 -14.431 1.00 0.00 C ATOM 531 O HIS A 33 6.293 -6.770 -14.003 1.00 0.00 O ATOM 532 CB HIS A 33 7.364 -8.492 -15.867 1.00 0.00 C ATOM 533 CG HIS A 33 6.033 -8.467 -16.552 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.219 -9.575 -16.657 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.373 -7.458 -17.167 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.117 -9.249 -17.309 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.185 -7.970 -17.629 1.00 0.00 N ATOM 0 H HIS A 33 9.940 -6.649 -16.270 1.00 0.00 H new ATOM 0 HA HIS A 33 7.740 -6.488 -16.542 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.050 -9.109 -16.447 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.253 -8.968 -14.893 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.716 -6.440 -17.275 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.299 -9.916 -17.541 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.471 -7.447 -18.137 1.00 0.00 H new ATOM 545 N ALA A 34 8.154 -5.514 -13.854 1.00 0.00 N ATOM 546 CA ALA A 34 7.712 -4.806 -12.659 1.00 0.00 C ATOM 547 C ALA A 34 6.413 -4.050 -12.917 1.00 0.00 C ATOM 548 O ALA A 34 5.773 -4.232 -13.953 1.00 0.00 O ATOM 549 CB ALA A 34 8.796 -3.850 -12.182 1.00 0.00 C ATOM 0 H ALA A 34 9.074 -5.234 -14.195 1.00 0.00 H new ATOM 0 HA ALA A 34 7.523 -5.543 -11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.453 -3.328 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.700 -4.412 -11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.012 -3.124 -12.966 1.00 0.00 H new ATOM 555 N ARG A 35 6.029 -3.202 -11.969 1.00 0.00 N ATOM 556 CA ARG A 35 4.805 -2.420 -12.093 1.00 0.00 C ATOM 557 C ARG A 35 5.032 -1.189 -12.965 1.00 0.00 C ATOM 558 O ARG A 35 4.351 -0.996 -13.973 1.00 0.00 O ATOM 559 CB ARG A 35 4.304 -1.994 -10.712 1.00 0.00 C ATOM 560 CG ARG A 35 4.237 -3.135 -9.709 1.00 0.00 C ATOM 561 CD ARG A 35 3.974 -2.625 -8.301 1.00 0.00 C ATOM 562 NE ARG A 35 2.758 -1.819 -8.229 1.00 0.00 N ATOM 563 CZ ARG A 35 2.743 -0.498 -8.362 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.873 0.164 -8.572 1.00 0.00 N ATOM 565 NH2 ARG A 35 1.596 0.165 -8.284 1.00 0.00 N ATOM 0 H ARG A 35 6.548 -3.039 -11.106 1.00 0.00 H new ATOM 0 HA ARG A 35 4.050 -3.047 -12.568 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.960 -1.216 -10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.312 -1.553 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.448 -3.830 -9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.174 -3.691 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.889 -3.471 -7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.824 -2.030 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 35 1.872 -2.297 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.757 -0.342 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.858 1.179 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.725 -0.340 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.586 1.180 -8.386 1.00 0.00 H new ATOM 579 N SER A 36 5.993 -0.360 -12.571 1.00 0.00 N ATOM 580 CA SER A 36 6.307 0.855 -13.314 1.00 0.00 C ATOM 581 C SER A 36 7.814 1.001 -13.505 1.00 0.00 C ATOM 582 O SER A 36 8.292 1.214 -14.618 1.00 0.00 O ATOM 583 CB SER A 36 5.753 2.081 -12.587 1.00 0.00 C ATOM 584 OG SER A 36 6.799 2.926 -12.142 1.00 0.00 O ATOM 0 H SER A 36 6.568 -0.507 -11.741 1.00 0.00 H new ATOM 0 HA SER A 36 5.839 0.782 -14.296 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.092 2.635 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.152 1.762 -11.736 1.00 0.00 H new ATOM 0 HG SER A 36 6.418 3.703 -11.682 1.00 0.00 H new ATOM 590 N GLY A 37 8.557 0.883 -12.409 1.00 0.00 N ATOM 591 CA GLY A 37 10.002 1.005 -12.475 1.00 0.00 C ATOM 592 C GLY A 37 10.466 2.445 -12.399 1.00 0.00 C ATOM 593 O GLY A 37 9.915 3.318 -13.070 1.00 0.00 O ATOM 0 H GLY A 37 8.184 0.705 -11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.449 0.439 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.359 0.560 -13.404 1.00 0.00 H new ATOM 597 N GLU A 38 11.482 2.696 -11.579 1.00 0.00 N ATOM 598 CA GLU A 38 12.018 4.042 -11.417 1.00 0.00 C ATOM 599 C GLU A 38 13.459 3.997 -10.915 1.00 0.00 C ATOM 600 O GLU A 38 13.938 2.958 -10.460 1.00 0.00 O ATOM 601 CB GLU A 38 11.153 4.846 -10.444 1.00 0.00 C ATOM 602 CG GLU A 38 9.911 5.442 -11.085 1.00 0.00 C ATOM 603 CD GLU A 38 9.263 6.508 -10.221 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.752 6.160 -9.136 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.267 7.687 -10.631 1.00 0.00 O ATOM 0 H GLU A 38 11.950 1.985 -11.017 1.00 0.00 H new ATOM 0 HA GLU A 38 12.005 4.530 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.852 4.200 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.753 5.650 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.176 5.873 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.190 4.648 -11.278 1.00 0.00 H new ATOM 612 N CYS A 39 14.145 5.132 -11.002 1.00 0.00 N ATOM 613 CA CYS A 39 15.531 5.224 -10.558 1.00 0.00 C ATOM 614 C CYS A 39 15.647 6.102 -9.316 1.00 0.00 C ATOM 615 O CYS A 39 15.007 7.149 -9.220 1.00 0.00 O ATOM 616 CB CYS A 39 16.410 5.786 -11.677 1.00 0.00 C ATOM 617 SG CYS A 39 16.447 4.757 -13.181 1.00 0.00 S ATOM 0 H CYS A 39 13.764 6.001 -11.376 1.00 0.00 H new ATOM 0 HA CYS A 39 15.873 4.220 -10.305 1.00 0.00 H new ATOM 0 HB2 CYS A 39 16.053 6.782 -11.940 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.427 5.900 -11.303 1.00 0.00 H new ATOM 622 N PHE A 40 16.469 5.667 -8.366 1.00 0.00 N ATOM 623 CA PHE A 40 16.669 6.413 -7.129 1.00 0.00 C ATOM 624 C PHE A 40 18.059 6.151 -6.555 1.00 0.00 C ATOM 625 O PHE A 40 18.718 5.176 -6.916 1.00 0.00 O ATOM 626 CB PHE A 40 15.601 6.033 -6.101 1.00 0.00 C ATOM 627 CG PHE A 40 14.199 6.302 -6.567 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.676 7.584 -6.531 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.402 5.271 -7.040 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.386 7.835 -6.960 1.00 0.00 C ATOM 631 CE2 PHE A 40 12.112 5.516 -7.470 1.00 0.00 C ATOM 632 CZ PHE A 40 11.603 6.799 -7.429 1.00 0.00 C ATOM 0 H PHE A 40 17.007 4.803 -8.429 1.00 0.00 H new ATOM 0 HA PHE A 40 16.583 7.475 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.699 4.974 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.782 6.586 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.284 8.398 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.794 4.265 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.991 8.840 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.502 4.704 -7.838 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.594 6.992 -7.763 1.00 0.00 H new ATOM 642 N TYR A 41 18.497 7.029 -5.660 1.00 0.00 N ATOM 643 CA TYR A 41 19.809 6.896 -5.038 1.00 0.00 C ATOM 644 C TYR A 41 19.776 5.868 -3.911 1.00 0.00 C ATOM 645 O TYR A 41 18.732 5.629 -3.304 1.00 0.00 O ATOM 646 CB TYR A 41 20.280 8.247 -4.497 1.00 0.00 C ATOM 647 CG TYR A 41 20.623 9.246 -5.579 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.642 10.052 -6.144 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.928 9.384 -6.036 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.951 10.966 -7.133 1.00 0.00 C ATOM 651 CE2 TYR A 41 22.246 10.296 -7.024 1.00 0.00 C ATOM 652 CZ TYR A 41 21.254 11.084 -7.569 1.00 0.00 C ATOM 653 OH TYR A 41 21.566 11.994 -8.553 1.00 0.00 O ATOM 0 H TYR A 41 17.963 7.840 -5.349 1.00 0.00 H new ATOM 0 HA TYR A 41 20.510 6.552 -5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.500 8.666 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 41 21.156 8.091 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.621 9.962 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.707 8.768 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.177 11.584 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 41 23.265 10.391 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 41 22.526 11.952 -8.744 1.00 0.00 H new ATOM 663 N ASP A 42 20.927 5.263 -3.638 1.00 0.00 N ATOM 664 CA ASP A 42 21.032 4.261 -2.583 1.00 0.00 C ATOM 665 C ASP A 42 21.716 4.842 -1.349 1.00 0.00 C ATOM 666 O ASP A 42 21.922 6.051 -1.253 1.00 0.00 O ATOM 667 CB ASP A 42 21.807 3.041 -3.084 1.00 0.00 C ATOM 668 CG ASP A 42 21.258 1.740 -2.532 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.048 1.487 -2.705 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.038 0.976 -1.927 1.00 0.00 O ATOM 0 H ASP A 42 21.800 5.449 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 42 20.024 3.953 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.772 3.014 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.855 3.139 -2.801 1.00 0.00 H new ATOM 675 N GLU A 43 22.063 3.971 -0.406 1.00 0.00 N ATOM 676 CA GLU A 43 22.722 4.398 0.822 1.00 0.00 C ATOM 677 C GLU A 43 24.108 4.964 0.528 1.00 0.00 C ATOM 678 O GLU A 43 24.714 5.625 1.372 1.00 0.00 O ATOM 679 CB GLU A 43 22.834 3.227 1.801 1.00 0.00 C ATOM 680 CG GLU A 43 21.551 2.426 1.941 1.00 0.00 C ATOM 681 CD GLU A 43 21.209 2.119 3.386 1.00 0.00 C ATOM 682 OE1 GLU A 43 22.144 1.880 4.178 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.007 2.119 3.724 1.00 0.00 O ATOM 0 H GLU A 43 21.899 2.966 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 43 22.117 5.184 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.633 2.563 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.122 3.609 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.730 2.981 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.648 1.492 1.388 1.00 0.00 H new ATOM 690 N LYS A 44 24.605 4.700 -0.675 1.00 0.00 N ATOM 691 CA LYS A 44 25.919 5.183 -1.084 1.00 0.00 C ATOM 692 C LYS A 44 25.792 6.340 -2.069 1.00 0.00 C ATOM 693 O LYS A 44 26.707 6.609 -2.847 1.00 0.00 O ATOM 694 CB LYS A 44 26.728 4.048 -1.716 1.00 0.00 C ATOM 695 CG LYS A 44 27.579 3.280 -0.719 1.00 0.00 C ATOM 696 CD LYS A 44 29.051 3.321 -1.095 1.00 0.00 C ATOM 697 CE LYS A 44 29.787 2.085 -0.599 1.00 0.00 C ATOM 698 NZ LYS A 44 30.916 2.438 0.306 1.00 0.00 N ATOM 0 H LYS A 44 24.117 4.154 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 44 26.439 5.541 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.044 3.355 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.374 4.461 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.445 3.702 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.243 2.244 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.149 3.394 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.511 4.214 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.089 1.434 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.167 1.522 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.392 1.569 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.595 3.039 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.551 2.953 1.132 1.00 0.00 H new ATOM 712 N ARG A 45 24.652 7.023 -2.029 1.00 0.00 N ATOM 713 CA ARG A 45 24.406 8.152 -2.918 1.00 0.00 C ATOM 714 C ARG A 45 24.554 7.736 -4.378 1.00 0.00 C ATOM 715 O ARG A 45 24.942 8.538 -5.226 1.00 0.00 O ATOM 716 CB ARG A 45 25.370 9.297 -2.602 1.00 0.00 C ATOM 717 CG ARG A 45 25.535 9.561 -1.114 1.00 0.00 C ATOM 718 CD ARG A 45 24.247 10.083 -0.496 1.00 0.00 C ATOM 719 NE ARG A 45 24.499 11.142 0.479 1.00 0.00 N ATOM 720 CZ ARG A 45 23.566 11.987 0.903 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.326 11.897 0.441 1.00 0.00 N ATOM 722 NH2 ARG A 45 23.872 12.923 1.792 1.00 0.00 N ATOM 0 H ARG A 45 23.885 6.814 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 45 23.383 8.493 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.345 9.069 -3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.013 10.206 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 45 25.835 8.642 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 45 26.335 10.285 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.595 10.462 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.718 9.262 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 45 25.443 11.237 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.087 11.178 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.611 12.547 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.824 12.994 2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.155 13.572 2.117 1.00 0.00 H new ATOM 736 N ASN A 46 24.243 6.476 -4.664 1.00 0.00 N ATOM 737 CA ASN A 46 24.343 5.953 -6.022 1.00 0.00 C ATOM 738 C ASN A 46 22.959 5.699 -6.610 1.00 0.00 C ATOM 739 O ASN A 46 22.147 4.979 -6.028 1.00 0.00 O ATOM 740 CB ASN A 46 25.160 4.658 -6.033 1.00 0.00 C ATOM 741 CG ASN A 46 26.558 4.852 -5.479 1.00 0.00 C ATOM 742 OD1 ASN A 46 27.105 5.954 -5.515 1.00 0.00 O ATOM 743 ND2 ASN A 46 27.143 3.777 -4.963 1.00 0.00 N ATOM 0 H ASN A 46 23.920 5.798 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 46 24.848 6.699 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.642 3.900 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.226 4.282 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 46 28.084 3.845 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.651 2.883 -4.954 1.00 0.00 H new ATOM 750 N LEU A 47 22.696 6.294 -7.769 1.00 0.00 N ATOM 751 CA LEU A 47 21.410 6.133 -8.438 1.00 0.00 C ATOM 752 C LEU A 47 21.331 4.785 -9.147 1.00 0.00 C ATOM 753 O LEU A 47 22.097 4.514 -10.071 1.00 0.00 O ATOM 754 CB LEU A 47 21.190 7.265 -9.443 1.00 0.00 C ATOM 755 CG LEU A 47 19.932 8.109 -9.238 1.00 0.00 C ATOM 756 CD1 LEU A 47 20.007 9.387 -10.060 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.689 7.310 -9.603 1.00 0.00 C ATOM 0 H LEU A 47 23.357 6.892 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 47 20.627 6.171 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.056 7.926 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.155 6.834 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 47 19.868 8.382 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.103 9.975 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.876 9.968 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.095 9.135 -11.117 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.803 7.926 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.745 7.007 -10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.627 6.424 -8.971 1.00 0.00 H new ATOM 769 N GLN A 48 20.398 3.946 -8.709 1.00 0.00 N ATOM 770 CA GLN A 48 20.218 2.627 -9.304 1.00 0.00 C ATOM 771 C GLN A 48 18.801 2.461 -9.843 1.00 0.00 C ATOM 772 O GLN A 48 17.889 3.191 -9.454 1.00 0.00 O ATOM 773 CB GLN A 48 20.516 1.535 -8.275 1.00 0.00 C ATOM 774 CG GLN A 48 21.996 1.377 -7.967 1.00 0.00 C ATOM 775 CD GLN A 48 22.315 1.603 -6.502 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.010 2.555 -6.146 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.807 0.727 -5.643 1.00 0.00 N ATOM 0 H GLN A 48 19.756 4.156 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 48 20.916 2.533 -10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.983 1.763 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.126 0.585 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.318 0.376 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.566 2.082 -8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.236 -0.047 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.988 0.829 -4.644 1.00 0.00 H new ATOM 786 N CYS A 49 18.623 1.497 -10.740 1.00 0.00 N ATOM 787 CA CYS A 49 17.317 1.235 -11.333 1.00 0.00 C ATOM 788 C CYS A 49 16.465 0.368 -10.411 1.00 0.00 C ATOM 789 O CYS A 49 16.543 -0.860 -10.450 1.00 0.00 O ATOM 790 CB CYS A 49 17.479 0.549 -12.691 1.00 0.00 C ATOM 791 SG CYS A 49 15.933 0.412 -13.644 1.00 0.00 S ATOM 0 H CYS A 49 19.367 0.884 -11.072 1.00 0.00 H new ATOM 0 HA CYS A 49 16.811 2.190 -11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.209 1.103 -13.281 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.887 -0.450 -12.535 1.00 0.00 H new ATOM 796 N ILE A 50 15.652 1.016 -9.584 1.00 0.00 N ATOM 797 CA ILE A 50 14.784 0.304 -8.654 1.00 0.00 C ATOM 798 C ILE A 50 13.424 0.018 -9.281 1.00 0.00 C ATOM 799 O ILE A 50 12.680 0.937 -9.625 1.00 0.00 O ATOM 800 CB ILE A 50 14.579 1.102 -7.352 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.867 1.114 -6.527 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.432 0.513 -6.545 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.353 2.505 -6.185 1.00 0.00 C ATOM 0 H ILE A 50 15.576 2.032 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 50 15.279 -0.638 -8.419 1.00 0.00 H new ATOM 0 HB ILE A 50 14.326 2.130 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.703 0.558 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.648 0.591 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.300 1.087 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.515 0.552 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.658 -0.523 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.270 2.436 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.550 3.058 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.590 3.025 -5.605 1.00 0.00 H new ATOM 815 N CYS A 51 13.103 -1.264 -9.425 1.00 0.00 N ATOM 816 CA CYS A 51 11.832 -1.674 -10.009 1.00 0.00 C ATOM 817 C CYS A 51 10.788 -1.918 -8.923 1.00 0.00 C ATOM 818 O CYS A 51 11.088 -1.844 -7.731 1.00 0.00 O ATOM 819 CB CYS A 51 12.017 -2.939 -10.848 1.00 0.00 C ATOM 820 SG CYS A 51 13.433 -2.873 -11.992 1.00 0.00 S ATOM 0 H CYS A 51 13.707 -2.037 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 51 11.479 -0.868 -10.653 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.144 -3.790 -10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.108 -3.117 -11.422 1.00 0.00 H new ATOM 825 N ASP A 52 9.562 -2.210 -9.344 1.00 0.00 N ATOM 826 CA ASP A 52 8.474 -2.467 -8.408 1.00 0.00 C ATOM 827 C ASP A 52 7.946 -3.889 -8.566 1.00 0.00 C ATOM 828 O ASP A 52 7.484 -4.275 -9.640 1.00 0.00 O ATOM 829 CB ASP A 52 7.341 -1.462 -8.622 1.00 0.00 C ATOM 830 CG ASP A 52 6.895 -0.807 -7.329 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.414 -1.531 -6.432 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.028 0.429 -7.214 1.00 0.00 O ATOM 0 H ASP A 52 9.297 -2.275 -10.327 1.00 0.00 H new ATOM 0 HA ASP A 52 8.863 -2.354 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.669 -0.693 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.492 -1.969 -9.081 1.00 0.00 H new ATOM 837 N TYR A 53 8.018 -4.664 -7.490 1.00 0.00 N ATOM 838 CA TYR A 53 7.550 -6.045 -7.510 1.00 0.00 C ATOM 839 C TYR A 53 6.446 -6.261 -6.479 1.00 0.00 C ATOM 840 O TYR A 53 6.703 -6.308 -5.276 1.00 0.00 O ATOM 841 CB TYR A 53 8.711 -7.003 -7.238 1.00 0.00 C ATOM 842 CG TYR A 53 9.342 -7.561 -8.493 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.356 -6.875 -9.150 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.925 -8.776 -9.022 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.935 -7.381 -10.297 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.498 -9.291 -10.169 1.00 0.00 C ATOM 847 CZ TYR A 53 10.503 -8.590 -10.803 1.00 0.00 C ATOM 848 OH TYR A 53 11.077 -9.098 -11.945 1.00 0.00 O ATOM 0 H TYR A 53 8.396 -4.360 -6.593 1.00 0.00 H new ATOM 0 HA TYR A 53 7.143 -6.250 -8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.473 -6.482 -6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.353 -7.829 -6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.698 -5.929 -8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.139 -9.328 -8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.721 -6.834 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.161 -10.237 -10.567 1.00 0.00 H new ATOM 0 HH TYR A 53 10.377 -9.305 -12.599 1.00 0.00 H new ATOM 858 N CYS A 54 5.214 -6.394 -6.961 1.00 0.00 N ATOM 859 CA CYS A 54 4.069 -6.606 -6.084 1.00 0.00 C ATOM 860 C CYS A 54 2.778 -6.711 -6.892 1.00 0.00 C ATOM 861 O CYS A 54 1.866 -7.452 -6.528 1.00 0.00 O ATOM 862 CB CYS A 54 3.958 -5.465 -5.071 1.00 0.00 C ATOM 863 SG CYS A 54 4.241 -5.975 -3.344 1.00 0.00 S ATOM 0 H CYS A 54 4.984 -6.359 -7.954 1.00 0.00 H new ATOM 0 HA CYS A 54 4.220 -7.544 -5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.678 -4.690 -5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.967 -5.019 -5.149 1.00 0.00 H new