USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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= -0.138 K(o=-2.4,f=-4!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.27 K(o=-2.4,f=-4.4!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0278) 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= -0.187 X(o=-0.19,f=0) USER MOD Single : A 11 TYR OH : rot 143:sc= -0.671 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -151:sc= -0.0757 (180deg=-0.487) USER MOD Single : A 17 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.2) USER MOD Single : A 23 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.592) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0.886 (180deg=0.798) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.28 K(o=-2.3,f=-14!) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.57 F(o=-3.9!,f=-1.6) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.239 1.841 -4.062 1.00 0.00 N ATOM 2 CA GLN A 1 1.978 1.428 -2.875 1.00 0.00 C ATOM 3 C GLN A 1 3.456 1.234 -3.194 1.00 0.00 C ATOM 4 O GLN A 1 3.813 0.462 -4.084 1.00 0.00 O ATOM 5 CB GLN A 1 1.391 0.134 -2.308 1.00 0.00 C ATOM 6 CG GLN A 1 0.205 0.356 -1.384 1.00 0.00 C ATOM 7 CD GLN A 1 -0.958 -0.565 -1.695 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.926 -1.754 -1.373 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.993 -0.022 -2.323 1.00 0.00 N ATOM 0 H1 GLN A 1 0.235 1.967 -3.820 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.625 2.739 -4.416 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.329 1.112 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 1 1.888 2.217 -2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.082 -0.507 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.170 -0.400 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.520 0.202 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -0.125 1.392 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.977 0.967 -2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.804 -0.594 -2.558 1.00 0.00 H new ATOM 18 N ASP A 2 4.312 1.938 -2.461 1.00 0.00 N ATOM 19 CA ASP A 2 5.753 1.843 -2.665 1.00 0.00 C ATOM 20 C ASP A 2 6.415 1.086 -1.518 1.00 0.00 C ATOM 21 O ASP A 2 7.306 1.609 -0.847 1.00 0.00 O ATOM 22 CB ASP A 2 6.365 3.238 -2.793 1.00 0.00 C ATOM 23 CG ASP A 2 5.579 4.131 -3.733 1.00 0.00 C ATOM 24 OD1 ASP A 2 5.102 3.626 -4.770 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.442 5.336 -3.432 1.00 0.00 O ATOM 0 H ASP A 2 4.033 2.581 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 2 5.929 1.292 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.411 3.703 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.390 3.150 -3.152 1.00 0.00 H new ATOM 30 N LYS A 3 5.974 -0.147 -1.296 1.00 0.00 N ATOM 31 CA LYS A 3 6.523 -0.977 -0.230 1.00 0.00 C ATOM 32 C LYS A 3 7.366 -2.111 -0.803 1.00 0.00 C ATOM 33 O LYS A 3 8.242 -2.651 -0.126 1.00 0.00 O ATOM 34 CB LYS A 3 5.394 -1.550 0.630 1.00 0.00 C ATOM 35 CG LYS A 3 5.860 -2.605 1.620 1.00 0.00 C ATOM 36 CD LYS A 3 5.199 -2.426 2.977 1.00 0.00 C ATOM 37 CE LYS A 3 5.914 -1.373 3.810 1.00 0.00 C ATOM 38 NZ LYS A 3 6.953 -1.975 4.691 1.00 0.00 N ATOM 0 H LYS A 3 5.237 -0.594 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 3 7.163 -0.351 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.916 -0.737 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.636 -1.985 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.631 -3.597 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.943 -2.548 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.157 -2.137 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.199 -3.376 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.378 -0.641 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.187 -0.837 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.417 -1.225 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.507 -2.655 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.661 -2.465 4.108 1.00 0.00 H new ATOM 52 N CYS A 4 7.097 -2.468 -2.055 1.00 0.00 N ATOM 53 CA CYS A 4 7.832 -3.537 -2.720 1.00 0.00 C ATOM 54 C CYS A 4 8.606 -3.001 -3.920 1.00 0.00 C ATOM 55 O CYS A 4 8.091 -2.196 -4.697 1.00 0.00 O ATOM 56 CB CYS A 4 6.871 -4.640 -3.171 1.00 0.00 C ATOM 57 SG CYS A 4 5.445 -4.037 -4.130 1.00 0.00 S ATOM 0 H CYS A 4 6.375 -2.032 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 4 8.544 -3.952 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.421 -5.362 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.506 -5.171 -2.292 1.00 0.00 H new ATOM 62 N LYS A 5 9.848 -3.452 -4.066 1.00 0.00 N ATOM 63 CA LYS A 5 10.694 -3.020 -5.171 1.00 0.00 C ATOM 64 C LYS A 5 11.935 -3.900 -5.283 1.00 0.00 C ATOM 65 O LYS A 5 12.202 -4.728 -4.412 1.00 0.00 O ATOM 66 CB LYS A 5 11.109 -1.558 -4.983 1.00 0.00 C ATOM 67 CG LYS A 5 12.176 -1.361 -3.921 1.00 0.00 C ATOM 68 CD LYS A 5 11.679 -0.480 -2.787 1.00 0.00 C ATOM 69 CE LYS A 5 12.753 0.495 -2.328 1.00 0.00 C ATOM 70 NZ LYS A 5 13.973 -0.210 -1.845 1.00 0.00 N ATOM 0 H LYS A 5 10.290 -4.117 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 5 10.119 -3.113 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.477 -1.168 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.230 -0.971 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.479 -2.330 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.060 -0.911 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.799 0.074 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.370 -1.104 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.019 1.157 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.356 1.123 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.625 0.478 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.705 -0.921 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.442 -0.680 -2.645 1.00 0.00 H new ATOM 84 N LYS A 6 12.691 -3.715 -6.360 1.00 0.00 N ATOM 85 CA LYS A 6 13.906 -4.490 -6.585 1.00 0.00 C ATOM 86 C LYS A 6 14.946 -3.665 -7.335 1.00 0.00 C ATOM 87 O LYS A 6 14.749 -3.306 -8.496 1.00 0.00 O ATOM 88 CB LYS A 6 13.584 -5.763 -7.371 1.00 0.00 C ATOM 89 CG LYS A 6 12.814 -6.796 -6.567 1.00 0.00 C ATOM 90 CD LYS A 6 12.731 -8.124 -7.301 1.00 0.00 C ATOM 91 CE LYS A 6 13.508 -9.212 -6.576 1.00 0.00 C ATOM 92 NZ LYS A 6 14.245 -10.093 -7.523 1.00 0.00 N ATOM 0 H LYS A 6 12.484 -3.035 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 6 14.318 -4.764 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.004 -5.497 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.515 -6.208 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.299 -6.942 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.808 -6.427 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.687 -8.423 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.123 -8.007 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.213 -8.754 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.821 -9.813 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.762 -10.821 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.570 -10.550 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.919 -9.524 -8.074 1.00 0.00 H new ATOM 106 N VAL A 7 16.056 -3.369 -6.665 1.00 0.00 N ATOM 107 CA VAL A 7 17.129 -2.589 -7.270 1.00 0.00 C ATOM 108 C VAL A 7 17.851 -3.390 -8.347 1.00 0.00 C ATOM 109 O VAL A 7 18.051 -4.597 -8.209 1.00 0.00 O ATOM 110 CB VAL A 7 18.152 -2.130 -6.214 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.960 -3.314 -5.704 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.066 -1.059 -6.789 1.00 0.00 C ATOM 0 H VAL A 7 16.235 -3.658 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 7 16.667 -1.712 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 7 17.611 -1.700 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.678 -2.971 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.289 -4.045 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.493 -3.776 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.783 -0.746 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.601 -1.461 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.470 -0.201 -7.101 1.00 0.00 H new ATOM 122 N TYR A 8 18.240 -2.711 -9.420 1.00 0.00 N ATOM 123 CA TYR A 8 18.939 -3.360 -10.523 1.00 0.00 C ATOM 124 C TYR A 8 20.370 -2.845 -10.640 1.00 0.00 C ATOM 125 O TYR A 8 20.648 -1.922 -11.405 1.00 0.00 O ATOM 126 CB TYR A 8 18.191 -3.124 -11.837 1.00 0.00 C ATOM 127 CG TYR A 8 18.555 -4.108 -12.926 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.733 -5.456 -12.640 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.719 -3.690 -14.241 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.066 -6.359 -13.631 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.051 -4.586 -15.239 1.00 0.00 C ATOM 132 CZ TYR A 8 19.223 -5.919 -14.929 1.00 0.00 C ATOM 133 OH TYR A 8 19.553 -6.815 -15.920 1.00 0.00 O ATOM 0 H TYR A 8 18.083 -1.711 -9.550 1.00 0.00 H new ATOM 0 HA TYR A 8 18.973 -4.430 -10.319 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.119 -3.182 -11.650 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.400 -2.113 -12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.609 -5.804 -11.625 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.585 -2.647 -14.487 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.203 -7.403 -13.391 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.175 -4.245 -16.256 1.00 0.00 H new ATOM 0 HH TYR A 8 19.625 -6.344 -16.776 1.00 0.00 H new ATOM 143 N GLU A 9 21.274 -3.449 -9.875 1.00 0.00 N ATOM 144 CA GLU A 9 22.677 -3.052 -9.893 1.00 0.00 C ATOM 145 C GLU A 9 23.289 -3.279 -11.272 1.00 0.00 C ATOM 146 O GLU A 9 24.351 -2.743 -11.586 1.00 0.00 O ATOM 147 CB GLU A 9 23.464 -3.832 -8.838 1.00 0.00 C ATOM 148 CG GLU A 9 22.769 -3.902 -7.488 1.00 0.00 C ATOM 149 CD GLU A 9 23.697 -4.356 -6.378 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.832 -3.841 -6.305 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.286 -5.226 -5.581 1.00 0.00 O ATOM 0 H GLU A 9 21.060 -4.214 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 9 22.730 -1.988 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.637 -4.845 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.442 -3.368 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.365 -2.921 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.924 -4.587 -7.553 1.00 0.00 H new ATOM 158 N ASN A 10 22.611 -4.077 -12.090 1.00 0.00 N ATOM 159 CA ASN A 10 23.089 -4.377 -13.435 1.00 0.00 C ATOM 160 C ASN A 10 22.532 -3.378 -14.445 1.00 0.00 C ATOM 161 O ASN A 10 22.030 -3.763 -15.501 1.00 0.00 O ATOM 162 CB ASN A 10 22.692 -5.799 -13.834 1.00 0.00 C ATOM 163 CG ASN A 10 23.048 -6.819 -12.770 1.00 0.00 C ATOM 164 OD1 ASN A 10 22.247 -7.694 -12.441 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.255 -6.711 -12.227 1.00 0.00 N ATOM 0 H ASN A 10 21.729 -4.528 -11.845 1.00 0.00 H new ATOM 0 HA ASN A 10 24.176 -4.298 -13.434 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.619 -5.834 -14.023 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.189 -6.063 -14.768 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.551 -7.369 -11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.886 -5.970 -12.531 1.00 0.00 H new ATOM 172 N TYR A 11 22.624 -2.096 -14.113 1.00 0.00 N ATOM 173 CA TYR A 11 22.128 -1.041 -14.989 1.00 0.00 C ATOM 174 C TYR A 11 22.945 0.236 -14.822 1.00 0.00 C ATOM 175 O TYR A 11 23.346 0.607 -13.719 1.00 0.00 O ATOM 176 CB TYR A 11 20.653 -0.759 -14.698 1.00 0.00 C ATOM 177 CG TYR A 11 19.816 -0.568 -15.942 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.649 -1.601 -16.857 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.192 0.646 -16.204 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.885 -1.430 -17.995 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.426 0.825 -17.340 1.00 0.00 C ATOM 182 CZ TYR A 11 18.275 -0.216 -18.232 1.00 0.00 C ATOM 183 OH TYR A 11 17.514 -0.041 -19.365 1.00 0.00 O ATOM 0 H TYR A 11 23.038 -1.761 -13.243 1.00 0.00 H new ATOM 0 HA TYR A 11 22.229 -1.382 -16.019 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.242 -1.584 -14.117 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.578 0.135 -14.079 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.125 -2.553 -16.675 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.308 1.463 -15.508 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.766 -2.243 -18.696 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.948 1.775 -17.528 1.00 0.00 H new ATOM 0 HH TYR A 11 16.741 0.524 -19.156 1.00 0.00 H new ATOM 193 N PRO A 12 23.197 0.927 -15.944 1.00 0.00 N ATOM 194 CA PRO A 12 23.967 2.174 -15.949 1.00 0.00 C ATOM 195 C PRO A 12 23.210 3.325 -15.293 1.00 0.00 C ATOM 196 O PRO A 12 22.105 3.671 -15.709 1.00 0.00 O ATOM 197 CB PRO A 12 24.180 2.454 -17.438 1.00 0.00 C ATOM 198 CG PRO A 12 23.047 1.765 -18.119 1.00 0.00 C ATOM 199 CD PRO A 12 22.750 0.544 -17.293 1.00 0.00 C ATOM 0 HA PRO A 12 24.894 2.083 -15.382 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.174 3.524 -17.644 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.141 2.069 -17.780 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.175 2.416 -18.181 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.314 1.491 -19.140 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.689 0.296 -17.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.287 -0.330 -17.661 1.00 0.00 H new ATOM 207 N VAL A 13 23.814 3.915 -14.266 1.00 0.00 N ATOM 208 CA VAL A 13 23.198 5.029 -13.555 1.00 0.00 C ATOM 209 C VAL A 13 22.943 6.205 -14.490 1.00 0.00 C ATOM 210 O VAL A 13 22.136 7.086 -14.191 1.00 0.00 O ATOM 211 CB VAL A 13 24.077 5.500 -12.382 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.475 4.323 -11.505 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.308 6.230 -12.899 1.00 0.00 C ATOM 0 H VAL A 13 24.729 3.640 -13.908 1.00 0.00 H new ATOM 0 HA VAL A 13 22.247 4.668 -13.164 1.00 0.00 H new ATOM 0 HB VAL A 13 23.498 6.195 -11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.096 4.676 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.579 3.847 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.036 3.601 -12.098 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.918 6.556 -12.057 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.890 5.559 -13.531 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.999 7.098 -13.480 1.00 0.00 H new ATOM 223 N SER A 14 23.636 6.213 -15.624 1.00 0.00 N ATOM 224 CA SER A 14 23.487 7.284 -16.603 1.00 0.00 C ATOM 225 C SER A 14 22.085 7.278 -17.206 1.00 0.00 C ATOM 226 O SER A 14 21.394 8.297 -17.210 1.00 0.00 O ATOM 227 CB SER A 14 24.532 7.139 -17.711 1.00 0.00 C ATOM 228 OG SER A 14 25.392 8.264 -17.751 1.00 0.00 O ATOM 0 H SER A 14 24.306 5.490 -15.888 1.00 0.00 H new ATOM 0 HA SER A 14 23.639 8.234 -16.092 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.118 6.235 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.033 7.024 -18.673 1.00 0.00 H new ATOM 0 HG SER A 14 26.052 8.146 -18.466 1.00 0.00 H new ATOM 234 N LYS A 15 21.672 6.123 -17.715 1.00 0.00 N ATOM 235 CA LYS A 15 20.353 5.981 -18.320 1.00 0.00 C ATOM 236 C LYS A 15 19.255 6.324 -17.318 1.00 0.00 C ATOM 237 O LYS A 15 18.133 6.656 -17.700 1.00 0.00 O ATOM 238 CB LYS A 15 20.158 4.554 -18.838 1.00 0.00 C ATOM 239 CG LYS A 15 20.312 4.428 -20.344 1.00 0.00 C ATOM 240 CD LYS A 15 19.652 3.163 -20.867 1.00 0.00 C ATOM 241 CE LYS A 15 20.657 2.257 -21.562 1.00 0.00 C ATOM 242 NZ LYS A 15 21.330 2.944 -22.698 1.00 0.00 N ATOM 0 H LYS A 15 22.232 5.271 -17.721 1.00 0.00 H new ATOM 0 HA LYS A 15 20.287 6.677 -19.156 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.879 3.898 -18.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.166 4.205 -18.552 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.870 5.298 -20.830 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.371 4.421 -20.603 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.187 2.626 -20.041 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.856 3.428 -21.563 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.406 1.926 -20.843 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.149 1.364 -21.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.601 2.243 -23.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.679 3.637 -23.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.181 3.433 -22.353 1.00 0.00 H new ATOM 256 N CYS A 16 19.586 6.242 -16.033 1.00 0.00 N ATOM 257 CA CYS A 16 18.629 6.545 -14.976 1.00 0.00 C ATOM 258 C CYS A 16 18.434 8.052 -14.834 1.00 0.00 C ATOM 259 O CYS A 16 17.307 8.546 -14.863 1.00 0.00 O ATOM 260 CB CYS A 16 19.103 5.954 -13.646 1.00 0.00 C ATOM 261 SG CYS A 16 18.394 4.319 -13.265 1.00 0.00 S ATOM 0 H CYS A 16 20.510 5.968 -15.699 1.00 0.00 H new ATOM 0 HA CYS A 16 17.673 6.096 -15.246 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.190 5.872 -13.664 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.849 6.645 -12.842 1.00 0.00 H new ATOM 266 N GLN A 17 19.539 8.774 -14.681 1.00 0.00 N ATOM 267 CA GLN A 17 19.488 10.224 -14.534 1.00 0.00 C ATOM 268 C GLN A 17 18.917 10.879 -15.787 1.00 0.00 C ATOM 269 O GLN A 17 18.524 12.046 -15.767 1.00 0.00 O ATOM 270 CB GLN A 17 20.885 10.778 -14.246 1.00 0.00 C ATOM 271 CG GLN A 17 21.442 10.352 -12.897 1.00 0.00 C ATOM 272 CD GLN A 17 22.723 9.550 -13.022 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.505 9.748 -13.952 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.945 8.639 -12.081 1.00 0.00 N ATOM 0 H GLN A 17 20.479 8.380 -14.656 1.00 0.00 H new ATOM 0 HA GLN A 17 18.832 10.456 -13.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.566 10.450 -15.031 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.851 11.867 -14.288 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.630 11.237 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.695 9.757 -12.371 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.269 8.508 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.791 8.070 -12.111 1.00 0.00 H new ATOM 283 N LEU A 18 18.875 10.121 -16.878 1.00 0.00 N ATOM 284 CA LEU A 18 18.352 10.628 -18.142 1.00 0.00 C ATOM 285 C LEU A 18 16.844 10.840 -18.061 1.00 0.00 C ATOM 286 O LEU A 18 16.063 9.978 -18.466 1.00 0.00 O ATOM 287 CB LEU A 18 18.682 9.658 -19.278 1.00 0.00 C ATOM 288 CG LEU A 18 19.950 9.966 -20.076 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.479 8.707 -20.744 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.678 11.047 -21.112 1.00 0.00 C ATOM 0 H LEU A 18 19.197 9.154 -16.912 1.00 0.00 H new ATOM 0 HA LEU A 18 18.825 11.589 -18.344 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.775 8.656 -18.858 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.838 9.637 -19.968 1.00 0.00 H new ATOM 0 HG LEU A 18 20.710 10.334 -19.387 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.381 8.946 -21.307 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.712 7.962 -19.983 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.723 8.309 -21.421 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.591 11.254 -21.671 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.902 10.707 -21.798 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.346 11.956 -20.611 1.00 0.00 H new ATOM 302 N ARG A 19 16.441 11.993 -17.538 1.00 0.00 N ATOM 303 CA ARG A 19 15.026 12.319 -17.405 1.00 0.00 C ATOM 304 C ARG A 19 14.358 12.408 -18.774 1.00 0.00 C ATOM 305 O ARG A 19 13.141 12.260 -18.893 1.00 0.00 O ATOM 306 CB ARG A 19 14.853 13.641 -16.655 1.00 0.00 C ATOM 307 CG ARG A 19 14.205 13.486 -15.289 1.00 0.00 C ATOM 308 CD ARG A 19 13.680 14.814 -14.767 1.00 0.00 C ATOM 309 NE ARG A 19 14.330 15.207 -13.520 1.00 0.00 N ATOM 310 CZ ARG A 19 14.148 16.387 -12.936 1.00 0.00 C ATOM 311 NH1 ARG A 19 13.339 17.283 -13.484 1.00 0.00 N ATOM 312 NH2 ARG A 19 14.775 16.671 -11.802 1.00 0.00 N ATOM 0 H ARG A 19 17.074 12.717 -17.199 1.00 0.00 H new ATOM 0 HA ARG A 19 14.547 11.522 -16.837 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.829 14.110 -16.533 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.248 14.316 -17.260 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.386 12.770 -15.353 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.931 13.078 -14.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.839 15.587 -15.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.604 14.741 -14.608 1.00 0.00 H new ATOM 0 HE ARG A 19 14.958 14.539 -13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.855 17.067 -14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.201 18.188 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.397 15.984 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.635 17.577 -11.355 1.00 0.00 H new ATOM 326 N ILE A 20 15.161 12.650 -19.804 1.00 0.00 N ATOM 327 CA ILE A 20 14.648 12.758 -21.164 1.00 0.00 C ATOM 328 C ILE A 20 14.335 11.383 -21.744 1.00 0.00 C ATOM 329 O ILE A 20 13.460 11.243 -22.599 1.00 0.00 O ATOM 330 CB ILE A 20 15.649 13.477 -22.088 1.00 0.00 C ATOM 331 CG1 ILE A 20 16.189 14.737 -21.409 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.990 13.825 -23.415 1.00 0.00 C ATOM 333 CD1 ILE A 20 17.176 15.506 -22.260 1.00 0.00 C ATOM 0 H ILE A 20 16.170 12.775 -19.723 1.00 0.00 H new ATOM 0 HA ILE A 20 13.731 13.344 -21.110 1.00 0.00 H new ATOM 0 HB ILE A 20 16.485 12.806 -22.285 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.354 15.390 -21.156 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.670 14.457 -20.472 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.710 14.333 -24.057 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.650 12.912 -23.903 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.137 14.480 -23.237 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.517 16.387 -21.716 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.030 14.869 -22.492 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.693 15.817 -23.186 1.00 0.00 H new ATOM 345 N ALA A 21 15.054 10.370 -21.273 1.00 0.00 N ATOM 346 CA ALA A 21 14.850 9.005 -21.741 1.00 0.00 C ATOM 347 C ALA A 21 15.113 7.997 -20.628 1.00 0.00 C ATOM 348 O ALA A 21 16.199 7.425 -20.540 1.00 0.00 O ATOM 349 CB ALA A 21 15.746 8.719 -22.937 1.00 0.00 C ATOM 0 H ALA A 21 15.784 10.469 -20.567 1.00 0.00 H new ATOM 0 HA ALA A 21 13.809 8.904 -22.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.584 7.696 -23.277 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.508 9.412 -23.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.790 8.844 -22.648 1.00 0.00 H new ATOM 355 N ASN A 22 14.113 7.786 -19.779 1.00 0.00 N ATOM 356 CA ASN A 22 14.237 6.848 -18.669 1.00 0.00 C ATOM 357 C ASN A 22 14.056 5.411 -19.149 1.00 0.00 C ATOM 358 O ASN A 22 12.968 4.846 -19.049 1.00 0.00 O ATOM 359 CB ASN A 22 13.207 7.169 -17.585 1.00 0.00 C ATOM 360 CG ASN A 22 13.689 6.788 -16.198 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.889 6.792 -15.923 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.753 6.456 -15.317 1.00 0.00 N ATOM 0 H ASN A 22 13.208 8.252 -19.838 1.00 0.00 H new ATOM 0 HA ASN A 22 15.238 6.949 -18.250 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.980 8.235 -17.608 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.279 6.641 -17.802 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.017 6.190 -14.368 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.770 6.467 -15.589 1.00 0.00 H new ATOM 369 N GLN A 23 15.131 4.827 -19.669 1.00 0.00 N ATOM 370 CA GLN A 23 15.090 3.456 -20.165 1.00 0.00 C ATOM 371 C GLN A 23 14.979 2.464 -19.012 1.00 0.00 C ATOM 372 O GLN A 23 14.797 1.265 -19.226 1.00 0.00 O ATOM 373 CB GLN A 23 16.339 3.154 -20.994 1.00 0.00 C ATOM 374 CG GLN A 23 16.116 3.269 -22.494 1.00 0.00 C ATOM 375 CD GLN A 23 15.170 4.396 -22.858 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.524 5.572 -22.773 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.957 4.042 -23.267 1.00 0.00 N ATOM 0 H GLN A 23 16.040 5.281 -19.758 1.00 0.00 H new ATOM 0 HA GLN A 23 14.209 3.351 -20.797 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.135 3.839 -20.700 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.684 2.146 -20.762 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.074 3.430 -22.989 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.716 2.328 -22.871 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.705 3.055 -23.323 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.277 4.757 -23.526 1.00 0.00 H new ATOM 386 N CYS A 24 15.090 2.970 -17.789 1.00 0.00 N ATOM 387 CA CYS A 24 15.003 2.129 -16.601 1.00 0.00 C ATOM 388 C CYS A 24 13.604 1.538 -16.455 1.00 0.00 C ATOM 389 O CYS A 24 13.425 0.322 -16.503 1.00 0.00 O ATOM 390 CB CYS A 24 15.361 2.936 -15.351 1.00 0.00 C ATOM 391 SG CYS A 24 14.889 2.132 -13.787 1.00 0.00 S ATOM 0 H CYS A 24 15.241 3.960 -17.594 1.00 0.00 H new ATOM 0 HA CYS A 24 15.715 1.311 -16.713 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.436 3.117 -15.344 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.874 3.909 -15.408 1.00 0.00 H new ATOM 396 N ASN A 25 12.616 2.408 -16.276 1.00 0.00 N ATOM 397 CA ASN A 25 11.232 1.973 -16.122 1.00 0.00 C ATOM 398 C ASN A 25 10.800 1.108 -17.302 1.00 0.00 C ATOM 399 O ASN A 25 10.069 0.132 -17.135 1.00 0.00 O ATOM 400 CB ASN A 25 10.305 3.184 -15.996 1.00 0.00 C ATOM 401 CG ASN A 25 10.120 3.909 -17.315 1.00 0.00 C ATOM 402 OD1 ASN A 25 10.820 4.880 -17.606 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.173 3.441 -18.120 1.00 0.00 N ATOM 0 H ASN A 25 12.747 3.419 -16.234 1.00 0.00 H new ATOM 0 HA ASN A 25 11.164 1.376 -15.212 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.334 2.858 -15.624 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.713 3.875 -15.258 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.002 3.889 -19.020 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.617 2.634 -17.838 1.00 0.00 H new ATOM 410 N TYR A 26 11.257 1.473 -18.495 1.00 0.00 N ATOM 411 CA TYR A 26 10.916 0.732 -19.704 1.00 0.00 C ATOM 412 C TYR A 26 11.623 -0.620 -19.731 1.00 0.00 C ATOM 413 O TYR A 26 11.067 -1.614 -20.199 1.00 0.00 O ATOM 414 CB TYR A 26 11.292 1.541 -20.946 1.00 0.00 C ATOM 415 CG TYR A 26 10.222 1.542 -22.015 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.053 2.275 -21.855 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.381 0.809 -23.185 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.073 2.278 -22.828 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.407 0.807 -24.164 1.00 0.00 C ATOM 420 CZ TYR A 26 8.254 1.543 -23.981 1.00 0.00 C ATOM 421 OH TYR A 26 7.281 1.544 -24.954 1.00 0.00 O ATOM 0 H TYR A 26 11.864 2.277 -18.651 1.00 0.00 H new ATOM 0 HA TYR A 26 9.840 0.560 -19.703 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.499 2.569 -20.650 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.213 1.138 -21.366 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.908 2.853 -20.954 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.282 0.231 -23.331 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.170 2.853 -22.687 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.547 0.233 -25.068 1.00 0.00 H new ATOM 0 HH TYR A 26 7.565 0.977 -25.701 1.00 0.00 H new ATOM 431 N ASP A 27 12.851 -0.649 -19.225 1.00 0.00 N ATOM 432 CA ASP A 27 13.634 -1.878 -19.189 1.00 0.00 C ATOM 433 C ASP A 27 13.080 -2.845 -18.147 1.00 0.00 C ATOM 434 O ASP A 27 12.977 -4.048 -18.393 1.00 0.00 O ATOM 435 CB ASP A 27 15.100 -1.566 -18.883 1.00 0.00 C ATOM 436 CG ASP A 27 15.860 -2.780 -18.386 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.377 -3.541 -19.230 1.00 0.00 O ATOM 438 OD2 ASP A 27 15.935 -2.969 -17.154 1.00 0.00 O ATOM 0 H ASP A 27 13.326 0.165 -18.834 1.00 0.00 H new ATOM 0 HA ASP A 27 13.568 -2.350 -20.169 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.582 -1.183 -19.782 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.151 -0.777 -18.133 1.00 0.00 H new ATOM 443 N CYS A 28 12.725 -2.313 -16.983 1.00 0.00 N ATOM 444 CA CYS A 28 12.182 -3.128 -15.902 1.00 0.00 C ATOM 445 C CYS A 28 11.001 -3.962 -16.390 1.00 0.00 C ATOM 446 O CYS A 28 11.026 -5.191 -16.328 1.00 0.00 O ATOM 447 CB CYS A 28 11.746 -2.240 -14.735 1.00 0.00 C ATOM 448 SG CYS A 28 13.113 -1.710 -13.653 1.00 0.00 S ATOM 0 H CYS A 28 12.803 -1.320 -16.763 1.00 0.00 H new ATOM 0 HA CYS A 28 12.966 -3.805 -15.562 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.247 -1.356 -15.132 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.011 -2.779 -14.137 1.00 0.00 H new ATOM 453 N LYS A 29 9.966 -3.284 -16.876 1.00 0.00 N ATOM 454 CA LYS A 29 8.776 -3.960 -17.377 1.00 0.00 C ATOM 455 C LYS A 29 9.116 -4.850 -18.568 1.00 0.00 C ATOM 456 O LYS A 29 8.472 -5.876 -18.794 1.00 0.00 O ATOM 457 CB LYS A 29 7.713 -2.935 -17.780 1.00 0.00 C ATOM 458 CG LYS A 29 7.417 -1.909 -16.699 1.00 0.00 C ATOM 459 CD LYS A 29 6.852 -0.627 -17.287 1.00 0.00 C ATOM 460 CE LYS A 29 5.370 -0.765 -17.603 1.00 0.00 C ATOM 461 NZ LYS A 29 4.529 0.045 -16.679 1.00 0.00 N ATOM 0 H LYS A 29 9.928 -2.266 -16.933 1.00 0.00 H new ATOM 0 HA LYS A 29 8.382 -4.588 -16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.043 -2.417 -18.681 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.792 -3.460 -18.033 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.707 -2.326 -15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.331 -1.686 -16.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.001 0.193 -16.585 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.397 -0.371 -18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.187 -0.451 -18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.080 -1.813 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.574 0.146 -17.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.470 -0.431 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.955 0.986 -16.557 1.00 0.00 H new ATOM 475 N LEU A 30 10.131 -4.453 -19.327 1.00 0.00 N ATOM 476 CA LEU A 30 10.558 -5.216 -20.495 1.00 0.00 C ATOM 477 C LEU A 30 10.869 -6.661 -20.118 1.00 0.00 C ATOM 478 O LEU A 30 10.351 -7.597 -20.727 1.00 0.00 O ATOM 479 CB LEU A 30 11.789 -4.567 -21.130 1.00 0.00 C ATOM 480 CG LEU A 30 11.669 -4.210 -22.613 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.721 -2.702 -22.804 1.00 0.00 C ATOM 482 CD2 LEU A 30 12.769 -4.890 -23.415 1.00 0.00 C ATOM 0 H LEU A 30 10.674 -3.607 -19.155 1.00 0.00 H new ATOM 0 HA LEU A 30 9.741 -5.216 -21.217 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.023 -3.658 -20.576 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.636 -5.242 -21.007 1.00 0.00 H new ATOM 0 HG LEU A 30 10.706 -4.569 -22.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.634 -2.466 -23.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.898 -2.238 -22.261 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.668 -2.320 -22.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.669 -4.625 -24.468 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.742 -4.562 -23.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.686 -5.971 -23.303 1.00 0.00 H new ATOM 494 N ASP A 31 11.715 -6.834 -19.108 1.00 0.00 N ATOM 495 CA ASP A 31 12.092 -8.165 -18.647 1.00 0.00 C ATOM 496 C ASP A 31 11.458 -8.471 -17.294 1.00 0.00 C ATOM 497 O ASP A 31 10.568 -9.317 -17.190 1.00 0.00 O ATOM 498 CB ASP A 31 13.614 -8.282 -18.549 1.00 0.00 C ATOM 499 CG ASP A 31 14.212 -9.043 -19.716 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.136 -8.538 -20.856 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.758 -10.142 -19.489 1.00 0.00 O ATOM 0 H ASP A 31 12.152 -6.070 -18.593 1.00 0.00 H new ATOM 0 HA ASP A 31 11.726 -8.891 -19.372 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.050 -7.284 -18.508 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.878 -8.784 -17.618 1.00 0.00 H new ATOM 506 N LYS A 32 11.921 -7.780 -16.259 1.00 0.00 N ATOM 507 CA LYS A 32 11.401 -7.976 -14.911 1.00 0.00 C ATOM 508 C LYS A 32 9.876 -7.944 -14.907 1.00 0.00 C ATOM 509 O LYS A 32 9.232 -8.626 -14.108 1.00 0.00 O ATOM 510 CB LYS A 32 11.946 -6.901 -13.969 1.00 0.00 C ATOM 511 CG LYS A 32 13.461 -6.790 -13.985 1.00 0.00 C ATOM 512 CD LYS A 32 14.021 -6.592 -12.586 1.00 0.00 C ATOM 513 CE LYS A 32 15.507 -6.273 -12.621 1.00 0.00 C ATOM 514 NZ LYS A 32 16.024 -5.893 -11.277 1.00 0.00 N ATOM 0 H LYS A 32 12.657 -7.077 -16.328 1.00 0.00 H new ATOM 0 HA LYS A 32 11.728 -8.955 -14.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.516 -5.938 -14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.617 -7.119 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.888 -7.691 -14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.759 -5.955 -14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.486 -5.783 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.855 -7.493 -11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.056 -7.139 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.687 -5.459 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.991 -5.522 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.411 -5.162 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.032 -6.729 -10.659 1.00 0.00 H new ATOM 528 N HIS A 33 9.302 -7.150 -15.806 1.00 0.00 N ATOM 529 CA HIS A 33 7.852 -7.032 -15.907 1.00 0.00 C ATOM 530 C HIS A 33 7.271 -6.390 -14.651 1.00 0.00 C ATOM 531 O HIS A 33 6.150 -6.698 -14.247 1.00 0.00 O ATOM 532 CB HIS A 33 7.221 -8.406 -16.130 1.00 0.00 C ATOM 533 CG HIS A 33 6.061 -8.386 -17.077 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.198 -8.165 -18.431 1.00 0.00 N ATOM 535 CD2 HIS A 33 4.737 -8.563 -16.859 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.009 -8.205 -19.004 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.105 -8.445 -18.072 1.00 0.00 N ATOM 0 H HIS A 33 9.819 -6.579 -16.475 1.00 0.00 H new ATOM 0 HA HIS A 33 7.623 -6.393 -16.760 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.980 -9.088 -16.513 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.890 -8.804 -15.171 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.265 -8.760 -15.908 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.810 -8.065 -20.056 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.100 -8.529 -18.228 1.00 0.00 H new ATOM 545 N ALA A 34 8.041 -5.497 -14.038 1.00 0.00 N ATOM 546 CA ALA A 34 7.601 -4.811 -12.829 1.00 0.00 C ATOM 547 C ALA A 34 6.311 -4.037 -13.076 1.00 0.00 C ATOM 548 O ALA A 34 5.707 -4.141 -14.143 1.00 0.00 O ATOM 549 CB ALA A 34 8.692 -3.877 -12.326 1.00 0.00 C ATOM 0 H ALA A 34 8.972 -5.232 -14.359 1.00 0.00 H new ATOM 0 HA ALA A 34 7.402 -5.563 -12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.350 -3.371 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.589 -4.453 -12.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.919 -3.136 -13.093 1.00 0.00 H new ATOM 555 N ARG A 35 5.893 -3.260 -12.081 1.00 0.00 N ATOM 556 CA ARG A 35 4.673 -2.470 -12.190 1.00 0.00 C ATOM 557 C ARG A 35 4.901 -1.233 -13.053 1.00 0.00 C ATOM 558 O ARG A 35 4.218 -1.028 -14.056 1.00 0.00 O ATOM 559 CB ARG A 35 4.184 -2.053 -10.801 1.00 0.00 C ATOM 560 CG ARG A 35 4.421 -3.106 -9.731 1.00 0.00 C ATOM 561 CD ARG A 35 3.885 -4.464 -10.156 1.00 0.00 C ATOM 562 NE ARG A 35 4.953 -5.444 -10.333 1.00 0.00 N ATOM 563 CZ ARG A 35 4.855 -6.501 -11.130 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.744 -6.714 -11.822 1.00 0.00 N ATOM 565 NH2 ARG A 35 5.871 -7.349 -11.238 1.00 0.00 N ATOM 0 H ARG A 35 6.382 -3.161 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 35 3.912 -3.088 -12.666 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.687 -1.131 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.118 -1.832 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.489 -3.183 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.939 -2.798 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.181 -4.826 -9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.331 -4.359 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 35 5.822 -5.309 -9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.961 -6.065 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.672 -7.527 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.728 -7.189 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.795 -8.161 -11.851 1.00 0.00 H new ATOM 579 N SER A 36 5.867 -0.410 -12.655 1.00 0.00 N ATOM 580 CA SER A 36 6.183 0.809 -13.389 1.00 0.00 C ATOM 581 C SER A 36 7.689 0.949 -13.588 1.00 0.00 C ATOM 582 O SER A 36 8.163 1.155 -14.704 1.00 0.00 O ATOM 583 CB SER A 36 5.640 2.032 -12.647 1.00 0.00 C ATOM 584 OG SER A 36 5.226 1.690 -11.335 1.00 0.00 O ATOM 0 H SER A 36 6.444 -0.566 -11.828 1.00 0.00 H new ATOM 0 HA SER A 36 5.709 0.746 -14.368 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.409 2.804 -12.600 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.799 2.453 -13.199 1.00 0.00 H new ATOM 0 HG SER A 36 4.885 2.489 -10.881 1.00 0.00 H new ATOM 590 N GLY A 37 8.437 0.835 -12.495 1.00 0.00 N ATOM 591 CA GLY A 37 9.882 0.951 -12.569 1.00 0.00 C ATOM 592 C GLY A 37 10.354 2.389 -12.478 1.00 0.00 C ATOM 593 O GLY A 37 9.830 3.264 -13.165 1.00 0.00 O ATOM 0 H GLY A 37 8.068 0.664 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.332 0.373 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.231 0.516 -13.506 1.00 0.00 H new ATOM 597 N GLU A 38 11.344 2.632 -11.625 1.00 0.00 N ATOM 598 CA GLU A 38 11.884 3.975 -11.445 1.00 0.00 C ATOM 599 C GLU A 38 13.313 3.920 -10.914 1.00 0.00 C ATOM 600 O GLU A 38 13.776 2.877 -10.451 1.00 0.00 O ATOM 601 CB GLU A 38 11.002 4.778 -10.486 1.00 0.00 C ATOM 602 CG GLU A 38 9.742 5.327 -11.134 1.00 0.00 C ATOM 603 CD GLU A 38 9.064 6.386 -10.286 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.464 7.566 -10.378 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.134 6.035 -9.531 1.00 0.00 O ATOM 0 H GLU A 38 11.788 1.918 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 38 11.895 4.468 -12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.721 4.143 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.582 5.606 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.993 5.751 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.044 4.509 -11.314 1.00 0.00 H new ATOM 612 N CYS A 39 14.008 5.050 -10.984 1.00 0.00 N ATOM 613 CA CYS A 39 15.385 5.133 -10.512 1.00 0.00 C ATOM 614 C CYS A 39 15.469 5.942 -9.220 1.00 0.00 C ATOM 615 O CYS A 39 14.814 6.974 -9.078 1.00 0.00 O ATOM 616 CB CYS A 39 16.276 5.766 -11.582 1.00 0.00 C ATOM 617 SG CYS A 39 16.335 4.834 -13.146 1.00 0.00 S ATOM 0 H CYS A 39 13.640 5.922 -11.364 1.00 0.00 H new ATOM 0 HA CYS A 39 15.735 4.121 -10.310 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.919 6.776 -11.786 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.288 5.859 -11.188 1.00 0.00 H new ATOM 622 N PHE A 40 16.281 5.465 -8.282 1.00 0.00 N ATOM 623 CA PHE A 40 16.451 6.143 -7.002 1.00 0.00 C ATOM 624 C PHE A 40 17.856 5.916 -6.450 1.00 0.00 C ATOM 625 O PHE A 40 18.531 4.955 -6.817 1.00 0.00 O ATOM 626 CB PHE A 40 15.409 5.649 -5.997 1.00 0.00 C ATOM 627 CG PHE A 40 13.995 5.948 -6.403 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.460 7.213 -6.219 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.200 4.965 -6.970 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.158 7.491 -6.591 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.898 5.237 -7.345 1.00 0.00 C ATOM 632 CZ PHE A 40 11.377 6.502 -7.156 1.00 0.00 C ATOM 0 H PHE A 40 16.831 4.612 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 40 16.311 7.212 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.522 4.572 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.605 6.108 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.067 7.991 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.603 3.974 -7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.752 8.480 -6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.289 4.461 -7.785 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.360 6.718 -7.450 1.00 0.00 H new ATOM 642 N TYR A 41 18.288 6.809 -5.566 1.00 0.00 N ATOM 643 CA TYR A 41 19.612 6.709 -4.965 1.00 0.00 C ATOM 644 C TYR A 41 19.620 5.690 -3.829 1.00 0.00 C ATOM 645 O TYR A 41 18.592 5.438 -3.200 1.00 0.00 O ATOM 646 CB TYR A 41 20.062 8.075 -4.442 1.00 0.00 C ATOM 647 CG TYR A 41 20.484 9.032 -5.534 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.776 9.009 -6.045 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.590 9.958 -6.056 1.00 0.00 C ATOM 650 CE1 TYR A 41 22.165 9.882 -7.042 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.970 10.834 -7.054 1.00 0.00 C ATOM 652 CZ TYR A 41 21.259 10.793 -7.544 1.00 0.00 C ATOM 653 OH TYR A 41 21.643 11.663 -8.538 1.00 0.00 O ATOM 0 H TYR A 41 17.741 7.610 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 41 20.308 6.374 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.248 8.523 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.894 7.935 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.488 8.296 -5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.580 9.994 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 41 23.174 9.852 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.262 11.547 -7.449 1.00 0.00 H new ATOM 0 HH TYR A 41 20.887 12.237 -8.780 1.00 0.00 H new ATOM 663 N ASP A 42 20.786 5.108 -3.574 1.00 0.00 N ATOM 664 CA ASP A 42 20.930 4.117 -2.513 1.00 0.00 C ATOM 665 C ASP A 42 21.475 4.759 -1.241 1.00 0.00 C ATOM 666 O ASP A 42 21.537 5.983 -1.129 1.00 0.00 O ATOM 667 CB ASP A 42 21.855 2.986 -2.965 1.00 0.00 C ATOM 668 CG ASP A 42 21.259 1.615 -2.711 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.041 1.447 -2.931 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.011 0.710 -2.294 1.00 0.00 O ATOM 0 H ASP A 42 21.645 5.305 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 42 19.944 3.705 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.066 3.096 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.807 3.068 -2.441 1.00 0.00 H new ATOM 675 N GLU A 43 21.867 3.923 -0.284 1.00 0.00 N ATOM 676 CA GLU A 43 22.405 4.410 0.981 1.00 0.00 C ATOM 677 C GLU A 43 23.700 5.186 0.759 1.00 0.00 C ATOM 678 O GLU A 43 23.994 6.144 1.475 1.00 0.00 O ATOM 679 CB GLU A 43 22.654 3.242 1.938 1.00 0.00 C ATOM 680 CG GLU A 43 21.431 2.369 2.165 1.00 0.00 C ATOM 681 CD GLU A 43 21.735 1.148 3.010 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.826 1.291 4.247 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.883 0.049 2.435 1.00 0.00 O ATOM 0 H GLU A 43 21.822 2.907 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 43 21.671 5.083 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.462 2.626 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.992 3.635 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.654 2.958 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.033 2.050 1.202 1.00 0.00 H new ATOM 690 N LYS A 44 24.472 4.764 -0.237 1.00 0.00 N ATOM 691 CA LYS A 44 25.736 5.418 -0.555 1.00 0.00 C ATOM 692 C LYS A 44 25.555 6.432 -1.680 1.00 0.00 C ATOM 693 O LYS A 44 26.505 6.758 -2.392 1.00 0.00 O ATOM 694 CB LYS A 44 26.785 4.378 -0.955 1.00 0.00 C ATOM 695 CG LYS A 44 27.647 3.906 0.203 1.00 0.00 C ATOM 696 CD LYS A 44 29.108 4.265 -0.007 1.00 0.00 C ATOM 697 CE LYS A 44 29.994 3.644 1.062 1.00 0.00 C ATOM 698 NZ LYS A 44 30.165 4.547 2.234 1.00 0.00 N ATOM 0 H LYS A 44 24.244 3.972 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 44 26.078 5.946 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.282 3.518 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.428 4.801 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.291 4.355 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.549 2.826 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.430 3.924 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.223 5.349 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.559 2.700 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.970 3.413 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.775 4.088 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.603 5.438 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.236 4.747 2.657 1.00 0.00 H new ATOM 712 N ARG A 45 24.332 6.929 -1.832 1.00 0.00 N ATOM 713 CA ARG A 45 24.028 7.906 -2.870 1.00 0.00 C ATOM 714 C ARG A 45 24.263 7.317 -4.258 1.00 0.00 C ATOM 715 O ARG A 45 24.774 7.991 -5.151 1.00 0.00 O ATOM 716 CB ARG A 45 24.885 9.160 -2.686 1.00 0.00 C ATOM 717 CG ARG A 45 24.820 9.741 -1.282 1.00 0.00 C ATOM 718 CD ARG A 45 24.045 11.049 -1.256 1.00 0.00 C ATOM 719 NE ARG A 45 24.314 11.820 -0.045 1.00 0.00 N ATOM 720 CZ ARG A 45 23.876 13.059 0.150 1.00 0.00 C ATOM 721 NH1 ARG A 45 23.152 13.663 -0.781 1.00 0.00 N ATOM 722 NH2 ARG A 45 24.162 13.695 1.279 1.00 0.00 N ATOM 0 H ARG A 45 23.536 6.671 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 45 22.976 8.176 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.921 8.920 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.562 9.918 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.347 9.023 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.830 9.908 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.308 11.644 -2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.977 10.839 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 45 24.869 11.383 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.930 13.177 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.817 14.614 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.719 13.233 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.825 14.646 1.428 1.00 0.00 H new ATOM 736 N ASN A 46 23.885 6.054 -4.430 1.00 0.00 N ATOM 737 CA ASN A 46 24.056 5.373 -5.709 1.00 0.00 C ATOM 738 C ASN A 46 22.715 5.202 -6.417 1.00 0.00 C ATOM 739 O ASN A 46 21.868 4.419 -5.985 1.00 0.00 O ATOM 740 CB ASN A 46 24.712 4.007 -5.499 1.00 0.00 C ATOM 741 CG ASN A 46 25.451 3.917 -4.178 1.00 0.00 C ATOM 742 OD1 ASN A 46 24.837 3.844 -3.114 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.778 3.924 -4.241 1.00 0.00 N ATOM 0 H ASN A 46 23.459 5.482 -3.701 1.00 0.00 H new ATOM 0 HA ASN A 46 24.703 5.987 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.948 3.230 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.408 3.812 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.330 3.867 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.245 3.986 -5.146 1.00 0.00 H new ATOM 750 N LEU A 47 22.529 5.940 -7.506 1.00 0.00 N ATOM 751 CA LEU A 47 21.292 5.870 -8.275 1.00 0.00 C ATOM 752 C LEU A 47 21.221 4.574 -9.076 1.00 0.00 C ATOM 753 O LEU A 47 22.001 4.364 -10.004 1.00 0.00 O ATOM 754 CB LEU A 47 21.186 7.071 -9.217 1.00 0.00 C ATOM 755 CG LEU A 47 19.921 7.920 -9.082 1.00 0.00 C ATOM 756 CD1 LEU A 47 20.009 9.154 -9.967 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.688 7.099 -9.428 1.00 0.00 C ATOM 0 H LEU A 47 23.219 6.594 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 47 20.457 5.889 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.050 7.714 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.249 6.709 -10.243 1.00 0.00 H new ATOM 0 HG LEU A 47 19.835 8.247 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.100 9.746 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.870 9.753 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.120 8.848 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.798 7.719 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.766 6.741 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.616 6.248 -8.751 1.00 0.00 H new ATOM 769 N GLN A 48 20.280 3.710 -8.710 1.00 0.00 N ATOM 770 CA GLN A 48 20.106 2.434 -9.396 1.00 0.00 C ATOM 771 C GLN A 48 18.673 2.274 -9.893 1.00 0.00 C ATOM 772 O GLN A 48 17.745 2.873 -9.348 1.00 0.00 O ATOM 773 CB GLN A 48 20.467 1.277 -8.464 1.00 0.00 C ATOM 774 CG GLN A 48 21.892 1.341 -7.938 1.00 0.00 C ATOM 775 CD GLN A 48 22.070 0.580 -6.639 1.00 0.00 C ATOM 776 OE1 GLN A 48 21.200 0.849 -5.672 1.00 0.00 O flip ATOM 777 NE2 GLN A 48 22.978 -0.240 -6.505 1.00 0.00 N flip ATOM 0 H GLN A 48 19.627 3.869 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 48 20.774 2.419 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.777 1.272 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.327 0.336 -8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.571 0.935 -8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.172 2.383 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 48 23.624 -0.416 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.084 -0.744 -5.625 1.00 0.00 H new ATOM 786 N CYS A 49 18.500 1.463 -10.932 1.00 0.00 N ATOM 787 CA CYS A 49 17.181 1.225 -11.504 1.00 0.00 C ATOM 788 C CYS A 49 16.357 0.304 -10.608 1.00 0.00 C ATOM 789 O CYS A 49 16.438 -0.920 -10.718 1.00 0.00 O ATOM 790 CB CYS A 49 17.311 0.613 -12.900 1.00 0.00 C ATOM 791 SG CYS A 49 15.718 0.315 -13.733 1.00 0.00 S ATOM 0 H CYS A 49 19.257 0.960 -11.394 1.00 0.00 H new ATOM 0 HA CYS A 49 16.667 2.183 -11.580 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.915 1.275 -13.520 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.850 -0.331 -12.822 1.00 0.00 H new ATOM 796 N ILE A 50 15.567 0.901 -9.722 1.00 0.00 N ATOM 797 CA ILE A 50 14.728 0.135 -8.809 1.00 0.00 C ATOM 798 C ILE A 50 13.364 -0.152 -9.425 1.00 0.00 C ATOM 799 O ILE A 50 12.604 0.766 -9.734 1.00 0.00 O ATOM 800 CB ILE A 50 14.530 0.875 -7.473 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.824 0.857 -6.657 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.391 0.247 -6.683 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.429 2.229 -6.452 1.00 0.00 C ATOM 0 H ILE A 50 15.490 1.913 -9.617 1.00 0.00 H new ATOM 0 HA ILE A 50 15.244 -0.807 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 50 14.271 1.912 -7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.624 0.408 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.552 0.219 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.264 0.781 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.470 0.308 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.623 -0.798 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.343 2.139 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.661 2.673 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.719 2.864 -5.922 1.00 0.00 H new ATOM 815 N CYS A 51 13.058 -1.433 -9.600 1.00 0.00 N ATOM 816 CA CYS A 51 11.784 -1.844 -10.179 1.00 0.00 C ATOM 817 C CYS A 51 10.759 -2.134 -9.086 1.00 0.00 C ATOM 818 O CYS A 51 11.093 -2.174 -7.902 1.00 0.00 O ATOM 819 CB CYS A 51 11.974 -3.082 -11.057 1.00 0.00 C ATOM 820 SG CYS A 51 13.396 -2.978 -12.191 1.00 0.00 S ATOM 0 H CYS A 51 13.675 -2.205 -9.349 1.00 0.00 H new ATOM 0 HA CYS A 51 11.412 -1.025 -10.794 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.098 -3.954 -10.415 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.068 -3.242 -11.641 1.00 0.00 H new ATOM 825 N ASP A 52 9.511 -2.338 -9.493 1.00 0.00 N ATOM 826 CA ASP A 52 8.437 -2.626 -8.550 1.00 0.00 C ATOM 827 C ASP A 52 7.900 -4.040 -8.753 1.00 0.00 C ATOM 828 O ASP A 52 7.410 -4.379 -9.830 1.00 0.00 O ATOM 829 CB ASP A 52 7.305 -1.610 -8.707 1.00 0.00 C ATOM 830 CG ASP A 52 6.244 -1.755 -7.634 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.417 -2.608 -6.739 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.240 -1.014 -7.688 1.00 0.00 O ATOM 0 H ASP A 52 9.218 -2.309 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 52 8.843 -2.552 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.718 -0.602 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.845 -1.732 -9.688 1.00 0.00 H new ATOM 837 N TYR A 53 7.997 -4.859 -7.712 1.00 0.00 N ATOM 838 CA TYR A 53 7.525 -6.237 -7.778 1.00 0.00 C ATOM 839 C TYR A 53 6.374 -6.465 -6.803 1.00 0.00 C ATOM 840 O TYR A 53 6.566 -6.474 -5.587 1.00 0.00 O ATOM 841 CB TYR A 53 8.668 -7.205 -7.469 1.00 0.00 C ATOM 842 CG TYR A 53 9.359 -7.740 -8.704 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.320 -6.986 -9.367 1.00 0.00 C ATOM 844 CD2 TYR A 53 9.050 -8.997 -9.208 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.953 -7.470 -10.496 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.679 -9.489 -10.335 1.00 0.00 C ATOM 847 CZ TYR A 53 10.629 -8.722 -10.975 1.00 0.00 C ATOM 848 OH TYR A 53 11.257 -9.208 -12.099 1.00 0.00 O ATOM 0 H TYR A 53 8.398 -4.593 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 53 7.164 -6.423 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.402 -6.699 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.278 -8.042 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.576 -6.006 -8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.305 -9.600 -8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.697 -6.871 -11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.428 -10.469 -10.713 1.00 0.00 H new ATOM 0 HH TYR A 53 10.915 -10.103 -12.303 1.00 0.00 H new ATOM 858 N CYS A 54 5.175 -6.649 -7.346 1.00 0.00 N ATOM 859 CA CYS A 54 3.991 -6.877 -6.527 1.00 0.00 C ATOM 860 C CYS A 54 2.943 -7.676 -7.297 1.00 0.00 C ATOM 861 O CYS A 54 2.283 -8.552 -6.739 1.00 0.00 O ATOM 862 CB CYS A 54 3.397 -5.544 -6.069 1.00 0.00 C ATOM 863 SG CYS A 54 3.876 -5.058 -4.380 1.00 0.00 S ATOM 0 H CYS A 54 4.998 -6.645 -8.351 1.00 0.00 H new ATOM 0 HA CYS A 54 4.291 -7.453 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.708 -4.763 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.310 -5.605 -6.124 1.00 0.00 H new ATOM 868 N GLU A 55 2.797 -7.366 -8.582 1.00 0.00 N ATOM 869 CA GLU A 55 1.829 -8.054 -9.428 1.00 0.00 C ATOM 870 C GLU A 55 0.404 -7.797 -8.945 1.00 0.00 C ATOM 871 O GLU A 55 0.177 -7.517 -7.768 1.00 0.00 O ATOM 872 CB GLU A 55 2.110 -9.559 -9.442 1.00 0.00 C ATOM 873 CG GLU A 55 2.299 -10.129 -10.838 1.00 0.00 C ATOM 874 CD GLU A 55 1.687 -11.507 -10.993 1.00 0.00 C ATOM 875 OE1 GLU A 55 0.492 -11.590 -11.347 1.00 0.00 O ATOM 876 OE2 GLU A 55 2.403 -12.503 -10.761 1.00 0.00 O ATOM 0 H GLU A 55 3.336 -6.644 -9.059 1.00 0.00 H new ATOM 0 HA GLU A 55 1.927 -7.663 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.005 -9.759 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.285 -10.079 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.851 -9.453 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.364 -10.181 -11.064 1.00 0.00 H new ATOM 883 N TYR A 56 -0.551 -7.892 -9.863 1.00 0.00 N ATOM 884 CA TYR A 56 -1.953 -7.667 -9.533 1.00 0.00 C ATOM 885 C TYR A 56 -2.151 -6.289 -8.908 1.00 0.00 C ATOM 886 O TYR A 56 -1.544 -5.309 -9.337 1.00 0.00 O ATOM 887 CB TYR A 56 -2.455 -8.750 -8.576 1.00 0.00 C ATOM 888 CG TYR A 56 -3.411 -9.729 -9.218 1.00 0.00 C ATOM 889 CD1 TYR A 56 -3.004 -10.538 -10.272 1.00 0.00 C ATOM 890 CD2 TYR A 56 -4.721 -9.845 -8.771 1.00 0.00 C ATOM 891 CE1 TYR A 56 -3.875 -11.434 -10.862 1.00 0.00 C ATOM 892 CE2 TYR A 56 -5.598 -10.739 -9.354 1.00 0.00 C ATOM 893 CZ TYR A 56 -5.170 -11.531 -10.399 1.00 0.00 C ATOM 894 OH TYR A 56 -6.041 -12.422 -10.984 1.00 0.00 O ATOM 0 H TYR A 56 -0.380 -8.123 -10.842 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.529 -7.714 -10.457 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.600 -9.297 -8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.950 -8.274 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.990 -10.465 -10.636 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.060 -9.226 -7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.543 -12.055 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.613 -10.817 -8.994 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.913 -12.367 -10.540 1.00 0.00 H new TER 904 TYR A 56