USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 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 25 ASN : amide:sc= -3.74 K(o=-4,f=-3) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.252 USER MOD Set 2.1: A 17 GLN : amide:sc= -2.64! K(o=-1.8!,f=-1.2) USER MOD Set 2.2: A 41 TYR OH : rot 165:sc= 0.871 USER MOD Single : A 1 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.9) 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+ 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 132:sc= -0.888 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 22 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.95) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.14) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.747 (180deg=0.321!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.78 K(o=-2.8,f=-15!) USER MOD Single : A 48 GLN : amide:sc= -4.62! C(o=-4.6!,f=-2!) USER MOD Single : A 53 TYR OH : rot -125:sc= 0.446 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.476 3.382 0.246 1.00 0.00 N ATOM 2 CA GLN A 1 2.561 2.365 -0.259 1.00 0.00 C ATOM 3 C GLN A 1 3.329 1.193 -0.861 1.00 0.00 C ATOM 4 O GLN A 1 3.107 0.039 -0.494 1.00 0.00 O ATOM 5 CB GLN A 1 1.623 2.968 -1.306 1.00 0.00 C ATOM 6 CG GLN A 1 0.277 3.395 -0.743 1.00 0.00 C ATOM 7 CD GLN A 1 0.105 4.901 -0.722 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.076 5.647 -0.593 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.136 5.357 -0.849 1.00 0.00 N ATOM 0 H1 GLN A 1 2.931 4.170 0.651 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.084 2.968 0.981 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.067 3.735 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 1 1.969 1.996 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.108 3.832 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.461 2.238 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.520 2.950 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.171 3.007 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.912 4.703 -0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -1.313 6.361 -0.842 1.00 0.00 H new ATOM 18 N ASP A 2 4.231 1.497 -1.787 1.00 0.00 N ATOM 19 CA ASP A 2 5.033 0.469 -2.441 1.00 0.00 C ATOM 20 C ASP A 2 6.131 -0.037 -1.510 1.00 0.00 C ATOM 21 O ASP A 2 7.246 0.484 -1.507 1.00 0.00 O ATOM 22 CB ASP A 2 5.651 1.015 -3.729 1.00 0.00 C ATOM 23 CG ASP A 2 4.621 1.224 -4.821 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.123 0.218 -5.369 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.311 2.394 -5.128 1.00 0.00 O ATOM 0 H ASP A 2 4.426 2.447 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 2 4.377 -0.366 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.149 1.961 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.416 0.324 -4.083 1.00 0.00 H new ATOM 30 N LYS A 3 5.807 -1.056 -0.721 1.00 0.00 N ATOM 31 CA LYS A 3 6.765 -1.634 0.215 1.00 0.00 C ATOM 32 C LYS A 3 7.547 -2.769 -0.439 1.00 0.00 C ATOM 33 O LYS A 3 8.313 -3.470 0.223 1.00 0.00 O ATOM 34 CB LYS A 3 6.043 -2.150 1.462 1.00 0.00 C ATOM 35 CG LYS A 3 5.078 -3.288 1.179 1.00 0.00 C ATOM 36 CD LYS A 3 4.756 -4.072 2.440 1.00 0.00 C ATOM 37 CE LYS A 3 4.213 -5.455 2.113 1.00 0.00 C ATOM 38 NZ LYS A 3 2.853 -5.389 1.512 1.00 0.00 N ATOM 0 H LYS A 3 4.888 -1.499 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 3 7.467 -0.853 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.784 -2.485 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.496 -1.327 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.158 -2.889 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.510 -3.956 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.654 -4.168 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.025 -3.524 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.891 -5.957 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.180 -6.056 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.518 -6.351 1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.200 -4.932 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.889 -4.837 0.631 1.00 0.00 H new ATOM 52 N CYS A 4 7.350 -2.944 -1.741 1.00 0.00 N ATOM 53 CA CYS A 4 8.037 -3.993 -2.485 1.00 0.00 C ATOM 54 C CYS A 4 8.748 -3.417 -3.706 1.00 0.00 C ATOM 55 O CYS A 4 8.203 -2.570 -4.415 1.00 0.00 O ATOM 56 CB CYS A 4 7.044 -5.072 -2.921 1.00 0.00 C ATOM 57 SG CYS A 4 5.506 -4.418 -3.646 1.00 0.00 S ATOM 0 H CYS A 4 6.720 -2.372 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 4 8.784 -4.440 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.528 -5.723 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.793 -5.689 -2.058 1.00 0.00 H new ATOM 62 N LYS A 5 9.969 -3.882 -3.947 1.00 0.00 N ATOM 63 CA LYS A 5 10.756 -3.416 -5.083 1.00 0.00 C ATOM 64 C LYS A 5 11.968 -4.314 -5.310 1.00 0.00 C ATOM 65 O LYS A 5 12.245 -5.214 -4.516 1.00 0.00 O ATOM 66 CB LYS A 5 11.212 -1.973 -4.856 1.00 0.00 C ATOM 67 CG LYS A 5 11.948 -1.767 -3.544 1.00 0.00 C ATOM 68 CD LYS A 5 13.405 -2.184 -3.651 1.00 0.00 C ATOM 69 CE LYS A 5 14.338 -1.075 -3.187 1.00 0.00 C ATOM 70 NZ LYS A 5 14.488 -1.061 -1.705 1.00 0.00 N ATOM 0 H LYS A 5 10.436 -4.582 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 5 10.125 -3.456 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.861 -1.672 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.341 -1.318 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.889 -0.718 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.460 -2.343 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.574 -3.078 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.635 -2.446 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.316 -1.206 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.953 -0.112 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.131 -0.292 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.558 -0.911 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.880 -1.971 -1.387 1.00 0.00 H new ATOM 84 N LYS A 6 12.689 -4.063 -6.397 1.00 0.00 N ATOM 85 CA LYS A 6 13.874 -4.846 -6.728 1.00 0.00 C ATOM 86 C LYS A 6 14.903 -3.992 -7.461 1.00 0.00 C ATOM 87 O LYS A 6 14.681 -3.574 -8.598 1.00 0.00 O ATOM 88 CB LYS A 6 13.490 -6.051 -7.588 1.00 0.00 C ATOM 89 CG LYS A 6 12.744 -7.131 -6.823 1.00 0.00 C ATOM 90 CD LYS A 6 12.729 -8.445 -7.586 1.00 0.00 C ATOM 91 CE LYS A 6 13.584 -9.499 -6.899 1.00 0.00 C ATOM 92 NZ LYS A 6 14.054 -10.541 -7.854 1.00 0.00 N ATOM 0 H LYS A 6 12.473 -3.323 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 6 14.318 -5.199 -5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.870 -5.712 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.394 -6.481 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.213 -7.279 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.721 -6.805 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.704 -8.806 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.095 -8.282 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.444 -9.020 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.009 -9.970 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.633 -11.241 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.233 -11.016 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.624 -10.095 -8.601 1.00 0.00 H new ATOM 106 N VAL A 7 16.030 -3.737 -6.804 1.00 0.00 N ATOM 107 CA VAL A 7 17.095 -2.935 -7.395 1.00 0.00 C ATOM 108 C VAL A 7 17.864 -3.730 -8.444 1.00 0.00 C ATOM 109 O VAL A 7 18.096 -4.928 -8.284 1.00 0.00 O ATOM 110 CB VAL A 7 18.081 -2.433 -6.323 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.883 -3.592 -5.751 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.002 -1.371 -6.903 1.00 0.00 C ATOM 0 H VAL A 7 16.229 -4.074 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 7 16.619 -2.077 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 7 17.510 -1.982 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.574 -3.218 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.205 -4.315 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.445 -4.075 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.692 -1.027 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.567 -1.794 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.408 -0.529 -7.259 1.00 0.00 H new ATOM 122 N TYR A 8 18.258 -3.055 -9.519 1.00 0.00 N ATOM 123 CA TYR A 8 18.999 -3.699 -10.596 1.00 0.00 C ATOM 124 C TYR A 8 20.418 -3.145 -10.688 1.00 0.00 C ATOM 125 O TYR A 8 20.694 -2.246 -11.482 1.00 0.00 O ATOM 126 CB TYR A 8 18.276 -3.502 -11.930 1.00 0.00 C ATOM 127 CG TYR A 8 18.744 -4.443 -13.017 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.996 -5.782 -12.742 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.935 -3.994 -14.318 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.424 -6.646 -13.732 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.361 -4.851 -15.314 1.00 0.00 C ATOM 132 CZ TYR A 8 19.605 -6.176 -15.016 1.00 0.00 C ATOM 133 OH TYR A 8 20.031 -7.032 -16.005 1.00 0.00 O ATOM 0 H TYR A 8 18.076 -2.062 -9.667 1.00 0.00 H new ATOM 0 HA TYR A 8 19.057 -4.765 -10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.206 -3.640 -11.777 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.420 -2.474 -12.264 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.855 -6.153 -11.738 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.747 -2.957 -14.555 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.616 -7.684 -13.502 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.502 -4.486 -16.321 1.00 0.00 H new ATOM 0 HH TYR A 8 20.107 -6.543 -16.851 1.00 0.00 H new ATOM 143 N GLU A 9 21.313 -3.689 -9.869 1.00 0.00 N ATOM 144 CA GLU A 9 22.703 -3.250 -9.857 1.00 0.00 C ATOM 145 C GLU A 9 23.321 -3.361 -11.248 1.00 0.00 C ATOM 146 O GLU A 9 24.315 -2.703 -11.552 1.00 0.00 O ATOM 147 CB GLU A 9 23.515 -4.078 -8.859 1.00 0.00 C ATOM 148 CG GLU A 9 22.860 -4.197 -7.493 1.00 0.00 C ATOM 149 CD GLU A 9 23.781 -4.811 -6.457 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.673 -5.594 -6.846 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.610 -4.510 -5.257 1.00 0.00 O ATOM 0 H GLU A 9 21.100 -4.434 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 9 22.723 -2.204 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.668 -5.077 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.500 -3.627 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.548 -3.208 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.959 -4.804 -7.578 1.00 0.00 H new ATOM 158 N ASN A 10 22.724 -4.200 -12.089 1.00 0.00 N ATOM 159 CA ASN A 10 23.216 -4.399 -13.447 1.00 0.00 C ATOM 160 C ASN A 10 22.589 -3.392 -14.406 1.00 0.00 C ATOM 161 O ASN A 10 22.042 -3.765 -15.445 1.00 0.00 O ATOM 162 CB ASN A 10 22.914 -5.824 -13.917 1.00 0.00 C ATOM 163 CG ASN A 10 23.950 -6.822 -13.439 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.912 -7.124 -14.146 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.758 -7.341 -12.231 1.00 0.00 N ATOM 0 H ASN A 10 21.899 -4.752 -11.854 1.00 0.00 H new ATOM 0 HA ASN A 10 24.295 -4.246 -13.442 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.931 -6.123 -13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.871 -5.843 -15.006 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.422 -8.018 -11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.947 -7.062 -11.679 1.00 0.00 H new ATOM 172 N TYR A 11 22.672 -2.115 -14.051 1.00 0.00 N ATOM 173 CA TYR A 11 22.112 -1.053 -14.879 1.00 0.00 C ATOM 174 C TYR A 11 22.919 0.233 -14.735 1.00 0.00 C ATOM 175 O TYR A 11 23.357 0.604 -13.646 1.00 0.00 O ATOM 176 CB TYR A 11 20.653 -0.797 -14.498 1.00 0.00 C ATOM 177 CG TYR A 11 19.755 -0.532 -15.685 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.455 -1.540 -16.594 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.206 0.726 -15.899 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.636 -1.302 -17.680 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.385 0.973 -16.982 1.00 0.00 C ATOM 182 CZ TYR A 11 18.103 -0.045 -17.870 1.00 0.00 C ATOM 183 OH TYR A 11 17.286 0.197 -18.950 1.00 0.00 O ATOM 0 H TYR A 11 23.122 -1.790 -13.195 1.00 0.00 H new ATOM 0 HA TYR A 11 22.159 -1.375 -15.919 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.273 -1.659 -13.951 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.607 0.056 -13.821 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.870 -2.527 -16.448 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.425 1.525 -15.206 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.414 -2.097 -18.377 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.966 1.957 -17.133 1.00 0.00 H new ATOM 0 HH TYR A 11 16.481 0.669 -18.652 1.00 0.00 H new ATOM 193 N PRO A 12 23.122 0.932 -15.862 1.00 0.00 N ATOM 194 CA PRO A 12 23.877 2.189 -15.890 1.00 0.00 C ATOM 195 C PRO A 12 23.131 3.327 -15.201 1.00 0.00 C ATOM 196 O PRO A 12 21.990 3.634 -15.546 1.00 0.00 O ATOM 197 CB PRO A 12 24.031 2.477 -17.385 1.00 0.00 C ATOM 198 CG PRO A 12 22.882 1.778 -18.026 1.00 0.00 C ATOM 199 CD PRO A 12 22.630 0.550 -17.196 1.00 0.00 C ATOM 0 HA PRO A 12 24.825 2.108 -15.359 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.005 3.548 -17.587 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.983 2.104 -17.764 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.001 2.419 -18.052 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.113 1.511 -19.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.572 0.290 -17.175 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.163 -0.316 -17.588 1.00 0.00 H new ATOM 207 N VAL A 13 23.785 3.952 -14.227 1.00 0.00 N ATOM 208 CA VAL A 13 23.184 5.058 -13.491 1.00 0.00 C ATOM 209 C VAL A 13 22.926 6.251 -14.405 1.00 0.00 C ATOM 210 O VAL A 13 22.141 7.140 -14.076 1.00 0.00 O ATOM 211 CB VAL A 13 24.081 5.507 -12.321 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.478 4.314 -11.465 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.312 6.233 -12.842 1.00 0.00 C ATOM 0 H VAL A 13 24.731 3.711 -13.929 1.00 0.00 H new ATOM 0 HA VAL A 13 22.236 4.696 -13.094 1.00 0.00 H new ATOM 0 HB VAL A 13 23.516 6.200 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.111 4.650 -10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.582 3.841 -11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.025 3.595 -12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.934 6.543 -12.002 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.882 5.566 -13.489 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.004 7.111 -13.409 1.00 0.00 H new ATOM 223 N SER A 14 23.592 6.262 -15.556 1.00 0.00 N ATOM 224 CA SER A 14 23.438 7.348 -16.517 1.00 0.00 C ATOM 225 C SER A 14 22.021 7.376 -17.081 1.00 0.00 C ATOM 226 O SER A 14 21.337 8.399 -17.022 1.00 0.00 O ATOM 227 CB SER A 14 24.449 7.196 -17.656 1.00 0.00 C ATOM 228 OG SER A 14 25.332 8.303 -17.705 1.00 0.00 O ATOM 0 H SER A 14 24.243 5.532 -15.845 1.00 0.00 H new ATOM 0 HA SER A 14 23.623 8.289 -15.999 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.020 6.277 -17.520 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.921 7.106 -18.605 1.00 0.00 H new ATOM 0 HG SER A 14 25.969 8.181 -18.440 1.00 0.00 H new ATOM 234 N LYS A 15 21.585 6.246 -17.628 1.00 0.00 N ATOM 235 CA LYS A 15 20.249 6.139 -18.202 1.00 0.00 C ATOM 236 C LYS A 15 19.182 6.453 -17.158 1.00 0.00 C ATOM 237 O LYS A 15 18.078 6.883 -17.495 1.00 0.00 O ATOM 238 CB LYS A 15 20.026 4.735 -18.768 1.00 0.00 C ATOM 239 CG LYS A 15 20.128 4.666 -20.282 1.00 0.00 C ATOM 240 CD LYS A 15 19.451 3.421 -20.831 1.00 0.00 C ATOM 241 CE LYS A 15 20.446 2.507 -21.528 1.00 0.00 C ATOM 242 NZ LYS A 15 19.806 1.717 -22.616 1.00 0.00 N ATOM 0 H LYS A 15 22.138 5.391 -17.686 1.00 0.00 H new ATOM 0 HA LYS A 15 20.168 6.867 -19.009 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.758 4.056 -18.332 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.041 4.381 -18.462 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.670 5.553 -20.719 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.177 4.671 -20.577 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.967 2.880 -20.018 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.668 3.710 -21.532 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.259 3.104 -21.942 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.888 1.829 -20.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.517 1.107 -23.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.047 1.128 -22.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.406 2.364 -23.325 1.00 0.00 H new ATOM 256 N CYS A 16 19.518 6.236 -15.891 1.00 0.00 N ATOM 257 CA CYS A 16 18.589 6.497 -14.798 1.00 0.00 C ATOM 258 C CYS A 16 18.385 7.996 -14.603 1.00 0.00 C ATOM 259 O CYS A 16 17.314 8.438 -14.189 1.00 0.00 O ATOM 260 CB CYS A 16 19.105 5.868 -13.502 1.00 0.00 C ATOM 261 SG CYS A 16 18.653 4.116 -13.294 1.00 0.00 S ATOM 0 H CYS A 16 20.427 5.880 -15.596 1.00 0.00 H new ATOM 0 HA CYS A 16 17.629 6.049 -15.055 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.191 5.958 -13.475 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.717 6.435 -12.656 1.00 0.00 H new ATOM 266 N GLN A 17 19.421 8.773 -14.906 1.00 0.00 N ATOM 267 CA GLN A 17 19.355 10.222 -14.763 1.00 0.00 C ATOM 268 C GLN A 17 18.747 10.865 -16.006 1.00 0.00 C ATOM 269 O GLN A 17 18.373 12.038 -15.991 1.00 0.00 O ATOM 270 CB GLN A 17 20.751 10.795 -14.510 1.00 0.00 C ATOM 271 CG GLN A 17 21.344 10.384 -13.172 1.00 0.00 C ATOM 272 CD GLN A 17 21.035 11.375 -12.068 1.00 0.00 C ATOM 273 OE1 GLN A 17 20.089 12.158 -12.167 1.00 0.00 O ATOM 274 NE2 GLN A 17 21.832 11.348 -11.006 1.00 0.00 N ATOM 0 H GLN A 17 20.315 8.423 -15.252 1.00 0.00 H new ATOM 0 HA GLN A 17 18.716 10.448 -13.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.418 10.471 -15.309 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.702 11.883 -14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 17 20.958 9.404 -12.894 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.425 10.284 -13.273 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.604 10.683 -10.965 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.672 11.992 -10.232 1.00 0.00 H new ATOM 283 N LEU A 18 18.652 10.089 -17.080 1.00 0.00 N ATOM 284 CA LEU A 18 18.089 10.582 -18.332 1.00 0.00 C ATOM 285 C LEU A 18 16.601 10.881 -18.180 1.00 0.00 C ATOM 286 O LEU A 18 15.756 10.021 -18.427 1.00 0.00 O ATOM 287 CB LEU A 18 18.303 9.558 -19.448 1.00 0.00 C ATOM 288 CG LEU A 18 19.503 9.805 -20.364 1.00 0.00 C ATOM 289 CD1 LEU A 18 19.903 8.523 -21.077 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.189 10.902 -21.371 1.00 0.00 C ATOM 0 H LEU A 18 18.957 9.116 -17.109 1.00 0.00 H new ATOM 0 HA LEU A 18 18.602 11.508 -18.593 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.414 8.573 -18.994 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.403 9.526 -20.062 1.00 0.00 H new ATOM 0 HG LEU A 18 20.342 10.132 -19.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.758 8.718 -21.724 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.171 7.765 -20.340 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.067 8.165 -21.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.054 11.064 -22.014 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.335 10.604 -21.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.953 11.825 -20.842 1.00 0.00 H new ATOM 302 N ARG A 19 16.288 12.107 -17.773 1.00 0.00 N ATOM 303 CA ARG A 19 14.902 12.520 -17.589 1.00 0.00 C ATOM 304 C ARG A 19 14.168 12.574 -18.926 1.00 0.00 C ATOM 305 O ARG A 19 12.944 12.453 -18.979 1.00 0.00 O ATOM 306 CB ARG A 19 14.841 13.888 -16.907 1.00 0.00 C ATOM 307 CG ARG A 19 15.570 13.937 -15.574 1.00 0.00 C ATOM 308 CD ARG A 19 14.715 13.371 -14.451 1.00 0.00 C ATOM 309 NE ARG A 19 15.286 13.648 -13.136 1.00 0.00 N ATOM 310 CZ ARG A 19 14.670 13.366 -11.993 1.00 0.00 C ATOM 311 NH1 ARG A 19 13.470 12.801 -12.005 1.00 0.00 N ATOM 312 NH2 ARG A 19 15.254 13.648 -10.836 1.00 0.00 N ATOM 0 H ARG A 19 16.975 12.831 -17.565 1.00 0.00 H new ATOM 0 HA ARG A 19 14.411 11.782 -16.954 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.270 14.636 -17.574 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.797 14.161 -16.751 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.499 13.372 -15.645 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.840 14.967 -15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.713 13.797 -14.508 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.612 12.294 -14.582 1.00 0.00 H new ATOM 0 HE ARG A 19 16.208 14.082 -13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.018 12.582 -12.893 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.999 12.585 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.177 14.082 -10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.780 13.431 -9.959 1.00 0.00 H new ATOM 326 N ILE A 20 14.925 12.756 -20.003 1.00 0.00 N ATOM 327 CA ILE A 20 14.347 12.825 -21.339 1.00 0.00 C ATOM 328 C ILE A 20 14.029 11.432 -21.873 1.00 0.00 C ATOM 329 O ILE A 20 13.090 11.253 -22.649 1.00 0.00 O ATOM 330 CB ILE A 20 15.292 13.536 -22.326 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.871 14.801 -21.688 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.556 13.875 -23.613 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.810 15.561 -22.599 1.00 0.00 C ATOM 0 H ILE A 20 15.940 12.858 -19.976 1.00 0.00 H new ATOM 0 HA ILE A 20 13.424 13.399 -21.254 1.00 0.00 H new ATOM 0 HB ILE A 20 16.115 12.863 -22.568 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.052 15.458 -21.394 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.403 14.528 -20.777 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.237 14.377 -24.300 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.187 12.959 -24.073 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.716 14.533 -23.389 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.182 16.445 -22.082 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.649 14.921 -22.873 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.276 15.865 -23.500 1.00 0.00 H new ATOM 345 N ALA A 21 14.816 10.448 -21.450 1.00 0.00 N ATOM 346 CA ALA A 21 14.616 9.070 -21.882 1.00 0.00 C ATOM 347 C ALA A 21 14.931 8.091 -20.757 1.00 0.00 C ATOM 348 O ALA A 21 16.015 7.511 -20.711 1.00 0.00 O ATOM 349 CB ALA A 21 15.475 8.770 -23.102 1.00 0.00 C ATOM 0 H ALA A 21 15.598 10.580 -20.809 1.00 0.00 H new ATOM 0 HA ALA A 21 13.567 8.948 -22.151 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.316 7.738 -23.414 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.199 9.441 -23.915 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.526 8.916 -22.852 1.00 0.00 H new ATOM 355 N ASN A 22 13.976 7.912 -19.850 1.00 0.00 N ATOM 356 CA ASN A 22 14.153 7.004 -18.723 1.00 0.00 C ATOM 357 C ASN A 22 13.925 5.557 -19.150 1.00 0.00 C ATOM 358 O ASN A 22 12.818 5.032 -19.031 1.00 0.00 O ATOM 359 CB ASN A 22 13.192 7.370 -17.590 1.00 0.00 C ATOM 360 CG ASN A 22 13.797 7.132 -16.219 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.984 7.373 -16.002 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.980 6.657 -15.287 1.00 0.00 N ATOM 0 H ASN A 22 13.072 8.384 -19.874 1.00 0.00 H new ATOM 0 HA ASN A 22 15.178 7.103 -18.367 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.909 8.418 -17.682 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.279 6.783 -17.688 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.330 6.477 -14.346 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.003 6.472 -15.512 1.00 0.00 H new ATOM 369 N GLN A 23 14.980 4.919 -19.645 1.00 0.00 N ATOM 370 CA GLN A 23 14.895 3.533 -20.090 1.00 0.00 C ATOM 371 C GLN A 23 14.767 2.587 -18.901 1.00 0.00 C ATOM 372 O GLN A 23 14.535 1.389 -19.069 1.00 0.00 O ATOM 373 CB GLN A 23 16.126 3.164 -20.920 1.00 0.00 C ATOM 374 CG GLN A 23 15.805 2.823 -22.366 1.00 0.00 C ATOM 375 CD GLN A 23 15.287 1.407 -22.530 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.934 0.445 -22.116 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.114 1.273 -23.137 1.00 0.00 N ATOM 0 H GLN A 23 15.904 5.339 -19.748 1.00 0.00 H new ATOM 0 HA GLN A 23 14.004 3.431 -20.710 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.830 3.996 -20.899 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.624 2.313 -20.457 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.061 3.524 -22.744 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.701 2.951 -22.973 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.612 2.098 -23.464 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.715 0.345 -23.276 1.00 0.00 H new ATOM 386 N CYS A 24 14.919 3.131 -17.698 1.00 0.00 N ATOM 387 CA CYS A 24 14.822 2.337 -16.480 1.00 0.00 C ATOM 388 C CYS A 24 13.400 1.819 -16.281 1.00 0.00 C ATOM 389 O CYS A 24 13.175 0.613 -16.194 1.00 0.00 O ATOM 390 CB CYS A 24 15.249 3.168 -15.268 1.00 0.00 C ATOM 391 SG CYS A 24 16.743 2.549 -14.431 1.00 0.00 S ATOM 0 H CYS A 24 15.110 4.121 -17.541 1.00 0.00 H new ATOM 0 HA CYS A 24 15.491 1.482 -16.579 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.424 4.195 -15.589 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.428 3.194 -14.551 1.00 0.00 H new ATOM 396 N ASN A 25 12.446 2.741 -16.209 1.00 0.00 N ATOM 397 CA ASN A 25 11.046 2.378 -16.019 1.00 0.00 C ATOM 398 C ASN A 25 10.586 1.401 -17.097 1.00 0.00 C ATOM 399 O ASN A 25 9.826 0.472 -16.823 1.00 0.00 O ATOM 400 CB ASN A 25 10.166 3.630 -16.042 1.00 0.00 C ATOM 401 CG ASN A 25 8.688 3.299 -15.962 1.00 0.00 C ATOM 402 OD1 ASN A 25 8.061 3.453 -14.914 1.00 0.00 O ATOM 403 ND2 ASN A 25 8.124 2.841 -17.074 1.00 0.00 N ATOM 0 H ASN A 25 12.616 3.744 -16.279 1.00 0.00 H new ATOM 0 HA ASN A 25 10.951 1.892 -15.048 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.437 4.276 -15.207 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.361 4.191 -16.956 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.133 2.601 -17.082 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.682 2.729 -17.920 1.00 0.00 H new ATOM 410 N TYR A 26 11.054 1.616 -18.321 1.00 0.00 N ATOM 411 CA TYR A 26 10.690 0.755 -19.441 1.00 0.00 C ATOM 412 C TYR A 26 11.402 -0.590 -19.347 1.00 0.00 C ATOM 413 O TYR A 26 10.802 -1.640 -19.577 1.00 0.00 O ATOM 414 CB TYR A 26 11.033 1.436 -20.767 1.00 0.00 C ATOM 415 CG TYR A 26 10.022 1.175 -21.861 1.00 0.00 C ATOM 416 CD1 TYR A 26 8.909 1.992 -22.014 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.180 0.112 -22.741 1.00 0.00 C ATOM 418 CE1 TYR A 26 7.982 1.757 -23.011 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.260 -0.129 -23.742 1.00 0.00 C ATOM 420 CZ TYR A 26 8.162 0.696 -23.873 1.00 0.00 C ATOM 421 OH TYR A 26 7.242 0.459 -24.869 1.00 0.00 O ATOM 0 H TYR A 26 11.686 2.379 -18.564 1.00 0.00 H new ATOM 0 HA TYR A 26 9.615 0.580 -19.398 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.110 2.511 -20.604 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.013 1.093 -21.100 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.766 2.825 -21.342 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.037 -0.537 -22.641 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.121 2.401 -23.115 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.399 -0.959 -24.419 1.00 0.00 H new ATOM 0 HH TYR A 26 7.517 -0.325 -25.389 1.00 0.00 H new ATOM 431 N ASP A 27 12.686 -0.550 -19.007 1.00 0.00 N ATOM 432 CA ASP A 27 13.482 -1.766 -18.881 1.00 0.00 C ATOM 433 C ASP A 27 12.899 -2.688 -17.815 1.00 0.00 C ATOM 434 O ASP A 27 12.841 -3.905 -17.996 1.00 0.00 O ATOM 435 CB ASP A 27 14.931 -1.418 -18.536 1.00 0.00 C ATOM 436 CG ASP A 27 15.692 -2.603 -17.976 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.609 -2.837 -16.752 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.371 -3.297 -18.761 1.00 0.00 O ATOM 0 H ASP A 27 13.198 0.311 -18.814 1.00 0.00 H new ATOM 0 HA ASP A 27 13.460 -2.287 -19.838 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.437 -1.054 -19.430 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.944 -0.605 -17.810 1.00 0.00 H new ATOM 443 N CYS A 28 12.470 -2.102 -16.703 1.00 0.00 N ATOM 444 CA CYS A 28 11.893 -2.870 -15.606 1.00 0.00 C ATOM 445 C CYS A 28 10.794 -3.799 -16.112 1.00 0.00 C ATOM 446 O CYS A 28 10.874 -5.018 -15.956 1.00 0.00 O ATOM 447 CB CYS A 28 11.330 -1.930 -14.538 1.00 0.00 C ATOM 448 SG CYS A 28 12.571 -1.334 -13.344 1.00 0.00 S ATOM 0 H CYS A 28 12.511 -1.096 -16.537 1.00 0.00 H new ATOM 0 HA CYS A 28 12.684 -3.477 -15.165 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.872 -1.071 -15.029 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.538 -2.446 -13.996 1.00 0.00 H new ATOM 453 N LYS A 29 9.766 -3.215 -16.719 1.00 0.00 N ATOM 454 CA LYS A 29 8.650 -3.989 -17.250 1.00 0.00 C ATOM 455 C LYS A 29 9.086 -4.816 -18.455 1.00 0.00 C ATOM 456 O LYS A 29 8.534 -5.885 -18.721 1.00 0.00 O ATOM 457 CB LYS A 29 7.501 -3.059 -17.646 1.00 0.00 C ATOM 458 CG LYS A 29 7.150 -2.038 -16.578 1.00 0.00 C ATOM 459 CD LYS A 29 6.552 -0.779 -17.185 1.00 0.00 C ATOM 460 CE LYS A 29 5.097 -0.987 -17.577 1.00 0.00 C ATOM 461 NZ LYS A 29 4.168 -0.274 -16.657 1.00 0.00 N ATOM 0 H LYS A 29 9.683 -2.208 -16.855 1.00 0.00 H new ATOM 0 HA LYS A 29 8.308 -4.669 -16.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.768 -2.535 -18.564 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.618 -3.659 -17.867 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.442 -2.475 -15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.045 -1.780 -16.012 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.624 0.041 -16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.129 -0.488 -18.063 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.941 -0.634 -18.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.868 -2.053 -17.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.186 -0.454 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.310 -0.617 -15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.358 0.748 -16.695 1.00 0.00 H new ATOM 475 N LEU A 30 10.081 -4.317 -19.181 1.00 0.00 N ATOM 476 CA LEU A 30 10.593 -5.012 -20.357 1.00 0.00 C ATOM 477 C LEU A 30 10.962 -6.453 -20.022 1.00 0.00 C ATOM 478 O LEU A 30 10.508 -7.390 -20.679 1.00 0.00 O ATOM 479 CB LEU A 30 11.813 -4.278 -20.916 1.00 0.00 C ATOM 480 CG LEU A 30 12.283 -4.717 -22.303 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.704 -3.512 -23.130 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.428 -5.713 -22.188 1.00 0.00 C ATOM 0 H LEU A 30 10.549 -3.434 -18.976 1.00 0.00 H new ATOM 0 HA LEU A 30 9.806 -5.025 -21.111 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.586 -3.212 -20.952 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.640 -4.405 -20.217 1.00 0.00 H new ATOM 0 HG LEU A 30 11.451 -5.207 -22.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.035 -3.844 -24.114 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.858 -2.834 -23.242 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.521 -2.993 -22.628 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.750 -6.014 -23.185 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.263 -5.249 -21.662 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.093 -6.590 -21.634 1.00 0.00 H new ATOM 494 N ASP A 31 11.785 -6.623 -18.993 1.00 0.00 N ATOM 495 CA ASP A 31 12.212 -7.951 -18.567 1.00 0.00 C ATOM 496 C ASP A 31 11.585 -8.320 -17.226 1.00 0.00 C ATOM 497 O ASP A 31 10.713 -9.186 -17.153 1.00 0.00 O ATOM 498 CB ASP A 31 13.737 -8.011 -18.465 1.00 0.00 C ATOM 499 CG ASP A 31 14.367 -8.744 -19.633 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.645 -8.092 -20.662 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.583 -9.968 -19.519 1.00 0.00 O ATOM 0 H ASP A 31 12.170 -5.858 -18.439 1.00 0.00 H new ATOM 0 HA ASP A 31 11.877 -8.670 -19.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.135 -6.997 -18.418 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.017 -8.506 -17.535 1.00 0.00 H new ATOM 506 N LYS A 32 12.036 -7.658 -16.166 1.00 0.00 N ATOM 507 CA LYS A 32 11.520 -7.915 -14.827 1.00 0.00 C ATOM 508 C LYS A 32 9.995 -7.933 -14.825 1.00 0.00 C ATOM 509 O LYS A 32 9.373 -8.603 -14.000 1.00 0.00 O ATOM 510 CB LYS A 32 12.029 -6.852 -13.850 1.00 0.00 C ATOM 511 CG LYS A 32 13.523 -6.600 -13.949 1.00 0.00 C ATOM 512 CD LYS A 32 14.158 -6.461 -12.576 1.00 0.00 C ATOM 513 CE LYS A 32 15.671 -6.334 -12.671 1.00 0.00 C ATOM 514 NZ LYS A 32 16.313 -6.328 -11.327 1.00 0.00 N ATOM 0 H LYS A 32 12.758 -6.939 -16.208 1.00 0.00 H new ATOM 0 HA LYS A 32 11.877 -8.894 -14.509 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.499 -5.918 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.788 -7.160 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.996 -7.421 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.702 -5.693 -14.527 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.749 -5.585 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.902 -7.328 -11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.069 -7.161 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.926 -5.415 -13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.293 -5.990 -11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.783 -5.697 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.312 -7.292 -10.937 1.00 0.00 H new ATOM 528 N HIS A 33 9.398 -7.196 -15.756 1.00 0.00 N ATOM 529 CA HIS A 33 7.945 -7.130 -15.863 1.00 0.00 C ATOM 530 C HIS A 33 7.336 -6.501 -14.613 1.00 0.00 C ATOM 531 O HIS A 33 6.205 -6.810 -14.239 1.00 0.00 O ATOM 532 CB HIS A 33 7.364 -8.527 -16.080 1.00 0.00 C ATOM 533 CG HIS A 33 6.141 -8.540 -16.945 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.867 -9.547 -17.846 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.116 -7.662 -17.041 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.727 -9.287 -18.460 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.251 -8.149 -17.990 1.00 0.00 N ATOM 0 H HIS A 33 9.898 -6.636 -16.447 1.00 0.00 H new ATOM 0 HA HIS A 33 7.697 -6.505 -16.721 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.126 -9.162 -16.533 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.119 -8.964 -15.112 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.000 -6.749 -16.477 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.263 -9.901 -19.218 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.382 -7.704 -18.284 1.00 0.00 H new ATOM 545 N ALA A 34 8.094 -5.619 -13.970 1.00 0.00 N ATOM 546 CA ALA A 34 7.629 -4.947 -12.764 1.00 0.00 C ATOM 547 C ALA A 34 6.349 -4.162 -13.031 1.00 0.00 C ATOM 548 O ALA A 34 5.789 -4.224 -14.126 1.00 0.00 O ATOM 549 CB ALA A 34 8.712 -4.026 -12.221 1.00 0.00 C ATOM 0 H ALA A 34 9.034 -5.353 -14.265 1.00 0.00 H new ATOM 0 HA ALA A 34 7.407 -5.709 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.350 -3.531 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.600 -4.610 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.962 -3.276 -12.972 1.00 0.00 H new ATOM 555 N ARG A 35 5.891 -3.425 -12.025 1.00 0.00 N ATOM 556 CA ARG A 35 4.676 -2.630 -12.151 1.00 0.00 C ATOM 557 C ARG A 35 4.925 -1.388 -13.003 1.00 0.00 C ATOM 558 O ARG A 35 4.246 -1.164 -14.005 1.00 0.00 O ATOM 559 CB ARG A 35 4.164 -2.219 -10.769 1.00 0.00 C ATOM 560 CG ARG A 35 4.113 -3.366 -9.773 1.00 0.00 C ATOM 561 CD ARG A 35 3.856 -2.865 -8.360 1.00 0.00 C ATOM 562 NE ARG A 35 2.773 -1.887 -8.315 1.00 0.00 N ATOM 563 CZ ARG A 35 1.496 -2.195 -8.509 1.00 0.00 C ATOM 564 NH1 ARG A 35 1.144 -3.448 -8.760 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.567 -1.249 -8.451 1.00 0.00 N ATOM 0 H ARG A 35 6.343 -3.362 -11.113 1.00 0.00 H new ATOM 0 HA ARG A 35 3.921 -3.242 -12.643 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.806 -1.433 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.166 -1.794 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.328 -4.065 -10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.054 -3.915 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.610 -3.709 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.767 -2.416 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 35 3.010 -0.914 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.855 -4.178 -8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.162 -3.682 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.834 -0.284 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.413 -1.487 -8.600 1.00 0.00 H new ATOM 579 N SER A 36 5.903 -0.585 -12.597 1.00 0.00 N ATOM 580 CA SER A 36 6.239 0.636 -13.319 1.00 0.00 C ATOM 581 C SER A 36 7.746 0.743 -13.534 1.00 0.00 C ATOM 582 O SER A 36 8.212 0.928 -14.657 1.00 0.00 O ATOM 583 CB SER A 36 5.733 1.862 -12.556 1.00 0.00 C ATOM 584 OG SER A 36 6.810 2.673 -12.122 1.00 0.00 O ATOM 0 H SER A 36 6.477 -0.758 -11.772 1.00 0.00 H new ATOM 0 HA SER A 36 5.752 0.597 -14.293 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.070 2.444 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.145 1.542 -11.696 1.00 0.00 H new ATOM 0 HG SER A 36 6.460 3.450 -11.639 1.00 0.00 H new ATOM 590 N GLY A 37 8.502 0.626 -12.447 1.00 0.00 N ATOM 591 CA GLY A 37 9.948 0.713 -12.536 1.00 0.00 C ATOM 592 C GLY A 37 10.446 2.144 -12.511 1.00 0.00 C ATOM 593 O GLY A 37 9.955 2.991 -13.257 1.00 0.00 O ATOM 0 H GLY A 37 8.139 0.473 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.394 0.162 -11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.282 0.232 -13.455 1.00 0.00 H new ATOM 597 N GLU A 38 11.422 2.415 -11.651 1.00 0.00 N ATOM 598 CA GLU A 38 11.984 3.755 -11.531 1.00 0.00 C ATOM 599 C GLU A 38 13.402 3.702 -10.970 1.00 0.00 C ATOM 600 O GLU A 38 13.835 2.678 -10.441 1.00 0.00 O ATOM 601 CB GLU A 38 11.101 4.624 -10.634 1.00 0.00 C ATOM 602 CG GLU A 38 9.847 5.134 -11.324 1.00 0.00 C ATOM 603 CD GLU A 38 9.425 6.504 -10.830 1.00 0.00 C ATOM 604 OE1 GLU A 38 10.226 7.454 -10.964 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.297 6.628 -10.311 1.00 0.00 O ATOM 0 H GLU A 38 11.840 1.725 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 38 12.022 4.196 -12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.813 4.048 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.683 5.475 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.021 5.177 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.034 4.427 -11.161 1.00 0.00 H new ATOM 612 N CYS A 39 14.121 4.813 -11.089 1.00 0.00 N ATOM 613 CA CYS A 39 15.490 4.895 -10.596 1.00 0.00 C ATOM 614 C CYS A 39 15.576 5.812 -9.379 1.00 0.00 C ATOM 615 O CYS A 39 14.941 6.866 -9.336 1.00 0.00 O ATOM 616 CB CYS A 39 16.422 5.404 -11.698 1.00 0.00 C ATOM 617 SG CYS A 39 16.625 4.248 -13.091 1.00 0.00 S ATOM 0 H CYS A 39 13.778 5.670 -11.523 1.00 0.00 H new ATOM 0 HA CYS A 39 15.803 3.894 -10.298 1.00 0.00 H new ATOM 0 HB2 CYS A 39 16.036 6.350 -12.078 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.401 5.610 -11.265 1.00 0.00 H new ATOM 622 N PHE A 40 16.366 5.404 -8.392 1.00 0.00 N ATOM 623 CA PHE A 40 16.535 6.187 -7.174 1.00 0.00 C ATOM 624 C PHE A 40 17.922 5.971 -6.576 1.00 0.00 C ATOM 625 O PHE A 40 18.576 4.964 -6.845 1.00 0.00 O ATOM 626 CB PHE A 40 15.462 5.813 -6.149 1.00 0.00 C ATOM 627 CG PHE A 40 14.061 6.063 -6.629 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.527 7.342 -6.612 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.278 5.020 -7.097 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.238 7.575 -7.054 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.989 5.248 -7.540 1.00 0.00 C ATOM 632 CZ PHE A 40 11.468 6.527 -7.517 1.00 0.00 C ATOM 0 H PHE A 40 16.900 4.535 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 40 16.430 7.241 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.567 4.759 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.631 6.381 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.124 8.165 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.680 4.018 -7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.834 8.576 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.389 4.427 -7.904 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.460 6.707 -7.861 1.00 0.00 H new ATOM 642 N TYR A 41 18.365 6.925 -5.764 1.00 0.00 N ATOM 643 CA TYR A 41 19.675 6.842 -5.131 1.00 0.00 C ATOM 644 C TYR A 41 19.689 5.769 -4.047 1.00 0.00 C ATOM 645 O TYR A 41 18.660 5.468 -3.442 1.00 0.00 O ATOM 646 CB TYR A 41 20.061 8.195 -4.530 1.00 0.00 C ATOM 647 CG TYR A 41 20.425 9.236 -5.564 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.452 10.043 -6.139 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.744 9.412 -5.967 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.780 10.995 -7.085 1.00 0.00 C ATOM 651 CE2 TYR A 41 22.082 10.361 -6.911 1.00 0.00 C ATOM 652 CZ TYR A 41 21.096 11.150 -7.468 1.00 0.00 C ATOM 653 OH TYR A 41 21.428 12.098 -8.409 1.00 0.00 O ATOM 0 H TYR A 41 17.836 7.765 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 41 20.403 6.570 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.230 8.566 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.905 8.055 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.421 9.924 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.518 8.795 -5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.011 11.614 -7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 41 23.112 10.485 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 41 22.396 12.248 -8.394 1.00 0.00 H new ATOM 663 N ASP A 42 20.863 5.196 -3.806 1.00 0.00 N ATOM 664 CA ASP A 42 21.014 4.157 -2.794 1.00 0.00 C ATOM 665 C ASP A 42 21.589 4.734 -1.504 1.00 0.00 C ATOM 666 O ASP A 42 21.655 5.951 -1.333 1.00 0.00 O ATOM 667 CB ASP A 42 21.917 3.037 -3.313 1.00 0.00 C ATOM 668 CG ASP A 42 21.478 1.669 -2.829 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.385 1.219 -3.232 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.228 1.047 -2.048 1.00 0.00 O ATOM 0 H ASP A 42 21.724 5.434 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 42 20.027 3.747 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.918 3.051 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.942 3.222 -2.991 1.00 0.00 H new ATOM 675 N GLU A 43 22.003 3.852 -0.600 1.00 0.00 N ATOM 676 CA GLU A 43 22.571 4.275 0.675 1.00 0.00 C ATOM 677 C GLU A 43 23.848 5.081 0.461 1.00 0.00 C ATOM 678 O GLU A 43 24.139 6.016 1.208 1.00 0.00 O ATOM 679 CB GLU A 43 22.864 3.059 1.557 1.00 0.00 C ATOM 680 CG GLU A 43 21.651 2.176 1.798 1.00 0.00 C ATOM 681 CD GLU A 43 21.911 1.097 2.831 1.00 0.00 C ATOM 682 OE1 GLU A 43 23.095 0.831 3.126 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.930 0.520 3.345 1.00 0.00 O ATOM 0 H GLU A 43 21.956 2.841 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 43 21.841 4.910 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.650 2.464 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.250 3.402 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.816 2.794 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.353 1.710 0.859 1.00 0.00 H new ATOM 690 N LYS A 44 24.609 4.713 -0.565 1.00 0.00 N ATOM 691 CA LYS A 44 25.855 5.401 -0.880 1.00 0.00 C ATOM 692 C LYS A 44 25.630 6.481 -1.933 1.00 0.00 C ATOM 693 O LYS A 44 26.559 6.879 -2.636 1.00 0.00 O ATOM 694 CB LYS A 44 26.902 4.401 -1.375 1.00 0.00 C ATOM 695 CG LYS A 44 27.797 3.862 -0.272 1.00 0.00 C ATOM 696 CD LYS A 44 29.123 4.603 -0.217 1.00 0.00 C ATOM 697 CE LYS A 44 29.391 5.164 1.171 1.00 0.00 C ATOM 698 NZ LYS A 44 30.828 5.502 1.364 1.00 0.00 N ATOM 0 H LYS A 44 24.384 3.941 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 44 26.218 5.877 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.395 3.567 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.522 4.881 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.288 3.953 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.979 2.800 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.930 3.928 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.118 5.415 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 44 28.784 6.056 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.085 4.436 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.970 5.881 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.406 4.646 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.114 6.216 0.663 1.00 0.00 H new ATOM 712 N ARG A 45 24.391 6.951 -2.036 1.00 0.00 N ATOM 713 CA ARG A 45 24.044 7.985 -3.004 1.00 0.00 C ATOM 714 C ARG A 45 24.276 7.494 -4.430 1.00 0.00 C ATOM 715 O ARG A 45 24.795 8.225 -5.272 1.00 0.00 O ATOM 716 CB ARG A 45 24.867 9.249 -2.748 1.00 0.00 C ATOM 717 CG ARG A 45 24.810 9.732 -1.308 1.00 0.00 C ATOM 718 CD ARG A 45 24.024 11.028 -1.187 1.00 0.00 C ATOM 719 NE ARG A 45 24.577 11.909 -0.161 1.00 0.00 N ATOM 720 CZ ARG A 45 24.302 13.207 -0.081 1.00 0.00 C ATOM 721 NH1 ARG A 45 23.486 13.770 -0.960 1.00 0.00 N ATOM 722 NH2 ARG A 45 24.844 13.942 0.881 1.00 0.00 N ATOM 0 H ARG A 45 23.611 6.632 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 45 22.986 8.218 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.906 9.057 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.510 10.044 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.350 8.966 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.822 9.883 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.025 11.544 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.985 10.801 -0.949 1.00 0.00 H new ATOM 0 HE ARG A 45 25.208 11.506 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.067 13.207 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.277 14.766 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.472 13.511 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.633 14.938 0.942 1.00 0.00 H new ATOM 736 N ASN A 46 23.886 6.251 -4.693 1.00 0.00 N ATOM 737 CA ASN A 46 24.052 5.662 -6.017 1.00 0.00 C ATOM 738 C ASN A 46 22.698 5.421 -6.679 1.00 0.00 C ATOM 739 O ASN A 46 21.924 4.568 -6.242 1.00 0.00 O ATOM 740 CB ASN A 46 24.826 4.346 -5.919 1.00 0.00 C ATOM 741 CG ASN A 46 25.611 4.232 -4.627 1.00 0.00 C ATOM 742 OD1 ASN A 46 25.036 4.073 -3.550 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.933 4.313 -4.729 1.00 0.00 N ATOM 0 H ASN A 46 23.453 5.632 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 46 24.617 6.363 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.129 3.511 -5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.509 4.266 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.514 4.243 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.367 4.445 -5.643 1.00 0.00 H new ATOM 750 N LEU A 47 22.419 6.178 -7.734 1.00 0.00 N ATOM 751 CA LEU A 47 21.159 6.047 -8.458 1.00 0.00 C ATOM 752 C LEU A 47 21.090 4.713 -9.194 1.00 0.00 C ATOM 753 O LEU A 47 21.747 4.524 -10.218 1.00 0.00 O ATOM 754 CB LEU A 47 20.996 7.199 -9.450 1.00 0.00 C ATOM 755 CG LEU A 47 19.731 8.044 -9.296 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.795 9.271 -10.192 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.494 7.215 -9.611 1.00 0.00 C ATOM 0 H LEU A 47 23.048 6.889 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 47 20.346 6.083 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.861 7.856 -9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.014 6.788 -10.459 1.00 0.00 H new ATOM 0 HG LEU A 47 19.666 8.379 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.886 9.860 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.659 9.876 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.886 8.958 -11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.603 7.833 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.552 6.849 -10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.439 6.369 -8.926 1.00 0.00 H new ATOM 769 N GLN A 48 20.290 3.792 -8.667 1.00 0.00 N ATOM 770 CA GLN A 48 20.135 2.476 -9.276 1.00 0.00 C ATOM 771 C GLN A 48 18.727 2.299 -9.837 1.00 0.00 C ATOM 772 O GLN A 48 17.825 3.081 -9.537 1.00 0.00 O ATOM 773 CB GLN A 48 20.431 1.379 -8.252 1.00 0.00 C ATOM 774 CG GLN A 48 21.896 0.980 -8.194 1.00 0.00 C ATOM 775 CD GLN A 48 22.450 0.994 -6.783 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.587 1.407 -6.554 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.647 0.542 -5.827 1.00 0.00 N ATOM 0 H GLN A 48 19.739 3.933 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 48 20.847 2.397 -10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 48 20.117 1.720 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.833 0.500 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.014 -0.018 -8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.479 1.660 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.712 0.209 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.965 0.528 -4.858 1.00 0.00 H new ATOM 786 N CYS A 49 18.547 1.265 -10.652 1.00 0.00 N ATOM 787 CA CYS A 49 17.250 0.984 -11.256 1.00 0.00 C ATOM 788 C CYS A 49 16.399 0.114 -10.337 1.00 0.00 C ATOM 789 O CYS A 49 16.506 -1.113 -10.352 1.00 0.00 O ATOM 790 CB CYS A 49 17.434 0.291 -12.608 1.00 0.00 C ATOM 791 SG CYS A 49 16.151 0.703 -13.835 1.00 0.00 S ATOM 0 H CYS A 49 19.283 0.608 -10.909 1.00 0.00 H new ATOM 0 HA CYS A 49 16.734 1.932 -11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.409 0.561 -13.013 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.441 -0.788 -12.453 1.00 0.00 H new ATOM 796 N ILE A 50 15.554 0.757 -9.538 1.00 0.00 N ATOM 797 CA ILE A 50 14.684 0.041 -8.613 1.00 0.00 C ATOM 798 C ILE A 50 13.329 -0.252 -9.248 1.00 0.00 C ATOM 799 O ILE A 50 12.580 0.663 -9.590 1.00 0.00 O ATOM 800 CB ILE A 50 14.467 0.839 -7.313 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.758 0.883 -6.494 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.337 0.226 -6.498 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.240 2.287 -6.201 1.00 0.00 C ATOM 0 H ILE A 50 15.453 1.772 -9.513 1.00 0.00 H new ATOM 0 HA ILE A 50 15.182 -0.899 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 50 14.189 1.860 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.599 0.358 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.538 0.344 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.195 0.801 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.417 0.242 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.588 -0.804 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.159 2.242 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.431 2.809 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.477 2.823 -5.636 1.00 0.00 H new ATOM 815 N CYS A 51 13.020 -1.535 -9.403 1.00 0.00 N ATOM 816 CA CYS A 51 11.755 -1.951 -9.996 1.00 0.00 C ATOM 817 C CYS A 51 10.721 -2.254 -8.915 1.00 0.00 C ATOM 818 O CYS A 51 11.043 -2.297 -7.727 1.00 0.00 O ATOM 819 CB CYS A 51 11.962 -3.184 -10.878 1.00 0.00 C ATOM 820 SG CYS A 51 13.067 -2.903 -12.299 1.00 0.00 S ATOM 0 H CYS A 51 13.629 -2.305 -9.126 1.00 0.00 H new ATOM 0 HA CYS A 51 11.384 -1.131 -10.610 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.370 -3.990 -10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.993 -3.522 -11.246 1.00 0.00 H new ATOM 825 N ASP A 52 9.478 -2.464 -9.335 1.00 0.00 N ATOM 826 CA ASP A 52 8.397 -2.764 -8.404 1.00 0.00 C ATOM 827 C ASP A 52 7.858 -4.173 -8.633 1.00 0.00 C ATOM 828 O ASP A 52 7.404 -4.504 -9.728 1.00 0.00 O ATOM 829 CB ASP A 52 7.268 -1.742 -8.554 1.00 0.00 C ATOM 830 CG ASP A 52 6.794 -1.204 -7.218 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.354 -2.013 -6.374 1.00 0.00 O ATOM 832 OD2 ASP A 52 6.864 0.026 -7.017 1.00 0.00 O ATOM 0 H ASP A 52 9.194 -2.432 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 52 8.796 -2.707 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.611 -0.914 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.429 -2.205 -9.074 1.00 0.00 H new ATOM 837 N TYR A 53 7.913 -4.997 -7.593 1.00 0.00 N ATOM 838 CA TYR A 53 7.434 -6.372 -7.681 1.00 0.00 C ATOM 839 C TYR A 53 6.303 -6.619 -6.688 1.00 0.00 C ATOM 840 O TYR A 53 6.523 -6.664 -5.477 1.00 0.00 O ATOM 841 CB TYR A 53 8.580 -7.351 -7.421 1.00 0.00 C ATOM 842 CG TYR A 53 9.247 -7.852 -8.682 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.287 -7.142 -9.271 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.837 -9.034 -9.287 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.899 -7.595 -10.423 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.444 -9.495 -10.438 1.00 0.00 C ATOM 847 CZ TYR A 53 10.474 -8.772 -11.003 1.00 0.00 C ATOM 848 OH TYR A 53 11.081 -9.228 -12.151 1.00 0.00 O ATOM 0 H TYR A 53 8.284 -4.737 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 53 7.050 -6.533 -8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.327 -6.864 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.198 -8.203 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.622 -6.220 -8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.029 -9.602 -8.849 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.706 -7.031 -10.867 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.114 -10.417 -10.894 1.00 0.00 H new ATOM 0 HH TYR A 53 10.404 -9.366 -12.846 1.00 0.00 H new ATOM 858 N CYS A 54 5.092 -6.780 -7.209 1.00 0.00 N ATOM 859 CA CYS A 54 3.924 -7.024 -6.371 1.00 0.00 C ATOM 860 C CYS A 54 2.759 -7.555 -7.202 1.00 0.00 C ATOM 861 O CYS A 54 2.393 -8.725 -7.098 1.00 0.00 O ATOM 862 CB CYS A 54 3.509 -5.738 -5.653 1.00 0.00 C ATOM 863 SG CYS A 54 4.051 -5.648 -3.917 1.00 0.00 S ATOM 0 H CYS A 54 4.893 -6.746 -8.209 1.00 0.00 H new ATOM 0 HA CYS A 54 4.190 -7.777 -5.629 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.917 -4.884 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.423 -5.649 -5.689 1.00 0.00 H new ATOM 868 N GLU A 55 2.182 -6.685 -8.025 1.00 0.00 N ATOM 869 CA GLU A 55 1.059 -7.067 -8.873 1.00 0.00 C ATOM 870 C GLU A 55 1.269 -6.584 -10.305 1.00 0.00 C ATOM 871 O GLU A 55 2.313 -6.020 -10.635 1.00 0.00 O ATOM 872 CB GLU A 55 -0.246 -6.494 -8.317 1.00 0.00 C ATOM 873 CG GLU A 55 -0.813 -7.290 -7.153 1.00 0.00 C ATOM 874 CD GLU A 55 -2.325 -7.213 -7.074 1.00 0.00 C ATOM 875 OE1 GLU A 55 -2.855 -6.092 -6.923 1.00 0.00 O ATOM 876 OE2 GLU A 55 -2.978 -8.273 -7.164 1.00 0.00 O ATOM 0 H GLU A 55 2.473 -5.712 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 55 0.996 -8.155 -8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.074 -5.467 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.986 -6.457 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.511 -8.333 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.385 -6.919 -6.222 1.00 0.00 H new ATOM 883 N TYR A 56 0.271 -6.811 -11.152 1.00 0.00 N ATOM 884 CA TYR A 56 0.347 -6.402 -12.550 1.00 0.00 C ATOM 885 C TYR A 56 -0.366 -5.071 -12.768 1.00 0.00 C ATOM 886 O TYR A 56 -1.483 -5.032 -13.282 1.00 0.00 O ATOM 887 CB TYR A 56 -0.265 -7.476 -13.451 1.00 0.00 C ATOM 888 CG TYR A 56 0.443 -8.809 -13.371 1.00 0.00 C ATOM 889 CD1 TYR A 56 0.247 -9.658 -12.289 1.00 0.00 C ATOM 890 CD2 TYR A 56 1.308 -9.220 -14.378 1.00 0.00 C ATOM 891 CE1 TYR A 56 0.892 -10.877 -12.211 1.00 0.00 C ATOM 892 CE2 TYR A 56 1.956 -10.438 -14.309 1.00 0.00 C ATOM 893 CZ TYR A 56 1.745 -11.263 -13.224 1.00 0.00 C ATOM 894 OH TYR A 56 2.390 -12.476 -13.151 1.00 0.00 O ATOM 0 H TYR A 56 -0.600 -7.276 -10.895 1.00 0.00 H new ATOM 0 HA TYR A 56 1.398 -6.276 -12.809 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.312 -7.613 -13.179 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.247 -7.126 -14.483 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.421 -9.360 -11.495 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.476 -8.576 -15.229 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.729 -11.524 -11.362 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.624 -10.743 -15.101 1.00 0.00 H new ATOM 0 HH TYR A 56 2.953 -12.596 -13.944 1.00 0.00 H new TER 904 TYR A 56