USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 23 TYR OH : rot 0:sc= -0.627! USER MOD Set 1.2: A 25 HIS : no HD1:sc= -2.4 K(o=-3,f=-7.1!) USER MOD Single : A 1 GLU N :NH3+ 168:sc= 0 (180deg=-0.142) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.392 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 126:sc= -1.67 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.9! K(o=-3.9!,f=-2.7) USER MOD Single : A 33 ASN : amide:sc= -1.35! C(o=-1.3!,f=-4.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.71! K(o=-1.7!,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.183 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00143 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.083 -5.772 18.438 1.00 0.00 N ATOM 2 CA GLU A 1 3.265 -6.789 19.461 1.00 0.00 C ATOM 3 C GLU A 1 2.183 -7.863 19.340 1.00 0.00 C ATOM 4 O GLU A 1 1.616 -8.294 20.343 1.00 0.00 O ATOM 5 CB GLU A 1 3.266 -6.167 20.858 1.00 0.00 C ATOM 6 CG GLU A 1 4.650 -6.270 21.503 1.00 0.00 C ATOM 7 CD GLU A 1 4.709 -5.467 22.805 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.997 -4.442 22.873 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.466 -5.897 23.702 1.00 0.00 O ATOM 0 H1 GLU A 1 3.688 -4.953 18.651 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.343 -6.163 17.510 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.087 -5.472 18.420 1.00 0.00 H new ATOM 0 HA GLU A 1 4.236 -7.260 19.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.967 -5.121 20.794 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.530 -6.671 21.485 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.884 -7.315 21.705 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.407 -5.902 20.810 1.00 0.00 H new ATOM 16 N GLU A 2 1.929 -8.265 18.103 1.00 0.00 N ATOM 17 CA GLU A 2 0.925 -9.282 17.838 1.00 0.00 C ATOM 18 C GLU A 2 0.714 -9.439 16.330 1.00 0.00 C ATOM 19 O GLU A 2 0.983 -10.501 15.770 1.00 0.00 O ATOM 20 CB GLU A 2 -0.392 -8.949 18.543 1.00 0.00 C ATOM 21 CG GLU A 2 -0.803 -10.074 19.494 1.00 0.00 C ATOM 22 CD GLU A 2 -1.425 -9.511 20.774 1.00 0.00 C ATOM 23 OE1 GLU A 2 -2.425 -8.773 20.642 1.00 0.00 O ATOM 24 OE2 GLU A 2 -0.885 -9.830 21.855 1.00 0.00 O ATOM 0 H GLU A 2 2.401 -7.905 17.273 1.00 0.00 H new ATOM 0 HA GLU A 2 1.283 -10.231 18.237 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.286 -8.018 19.100 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.175 -8.790 17.802 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.516 -10.732 18.998 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.068 -10.679 19.745 1.00 0.00 H new ATOM 31 N TYR A 3 0.235 -8.367 15.717 1.00 0.00 N ATOM 32 CA TYR A 3 -0.014 -8.373 14.285 1.00 0.00 C ATOM 33 C TYR A 3 -0.581 -7.030 13.822 1.00 0.00 C ATOM 34 O TYR A 3 -1.624 -6.592 14.304 1.00 0.00 O ATOM 35 CB TYR A 3 -1.059 -9.464 14.044 1.00 0.00 C ATOM 36 CG TYR A 3 -1.701 -9.415 12.656 1.00 0.00 C ATOM 37 CD1 TYR A 3 -0.913 -9.515 11.527 1.00 0.00 C ATOM 38 CD2 TYR A 3 -3.068 -9.271 12.533 1.00 0.00 C ATOM 39 CE1 TYR A 3 -1.518 -9.469 10.221 1.00 0.00 C ATOM 40 CE2 TYR A 3 -3.673 -9.224 11.227 1.00 0.00 C ATOM 41 CZ TYR A 3 -2.867 -9.326 10.135 1.00 0.00 C ATOM 42 OH TYR A 3 -3.438 -9.282 8.902 1.00 0.00 O ATOM 0 H TYR A 3 0.013 -7.488 16.185 1.00 0.00 H new ATOM 0 HA TYR A 3 0.910 -8.550 13.735 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.590 -10.438 14.182 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.841 -9.377 14.798 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.157 -9.628 11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.684 -9.194 13.417 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.913 -9.546 9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.741 -9.110 11.117 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.408 -9.178 8.994 1.00 0.00 H new ATOM 52 N VAL A 4 0.132 -6.412 12.891 1.00 0.00 N ATOM 53 CA VAL A 4 -0.286 -5.128 12.357 1.00 0.00 C ATOM 54 C VAL A 4 0.159 -5.017 10.897 1.00 0.00 C ATOM 55 O VAL A 4 1.333 -5.212 10.587 1.00 0.00 O ATOM 56 CB VAL A 4 0.253 -3.996 13.234 1.00 0.00 C ATOM 57 CG1 VAL A 4 1.783 -4.004 13.260 1.00 0.00 C ATOM 58 CG2 VAL A 4 -0.280 -2.639 12.768 1.00 0.00 C ATOM 0 H VAL A 4 0.997 -6.778 12.493 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.373 -5.044 12.372 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.101 -4.163 14.251 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.140 -3.190 13.890 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.135 -4.954 13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.165 -3.874 12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.119 -1.852 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.030 -2.461 11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.369 -2.637 12.825 1.00 0.00 H new ATOM 68 N GLY A 5 -0.803 -4.706 10.041 1.00 0.00 N ATOM 69 CA GLY A 5 -0.524 -4.567 8.621 1.00 0.00 C ATOM 70 C GLY A 5 -1.072 -3.245 8.082 1.00 0.00 C ATOM 71 O GLY A 5 -0.988 -2.976 6.884 1.00 0.00 O ATOM 0 H GLY A 5 -1.776 -4.546 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.552 -4.615 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.970 -5.399 8.076 1.00 0.00 H new ATOM 75 N LEU A 6 -1.622 -2.453 8.991 1.00 0.00 N ATOM 76 CA LEU A 6 -2.183 -1.165 8.622 1.00 0.00 C ATOM 77 C LEU A 6 -1.301 -0.049 9.183 1.00 0.00 C ATOM 78 O LEU A 6 -1.803 0.913 9.763 1.00 0.00 O ATOM 79 CB LEU A 6 -3.646 -1.073 9.061 1.00 0.00 C ATOM 80 CG LEU A 6 -3.964 -1.618 10.455 1.00 0.00 C ATOM 81 CD1 LEU A 6 -3.944 -3.148 10.462 1.00 0.00 C ATOM 82 CD2 LEU A 6 -3.019 -1.028 11.503 1.00 0.00 C ATOM 0 H LEU A 6 -1.691 -2.679 9.983 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.191 -1.049 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.951 -0.027 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.257 -1.609 8.335 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.974 -1.307 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.173 -3.510 11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.689 -3.525 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.956 -3.500 10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.267 -1.432 12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.990 -1.288 11.253 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.126 0.057 11.519 1.00 0.00 H new ATOM 94 N SER A 7 0.000 -0.213 8.991 1.00 0.00 N ATOM 95 CA SER A 7 0.957 0.769 9.471 1.00 0.00 C ATOM 96 C SER A 7 2.251 0.679 8.659 1.00 0.00 C ATOM 97 O SER A 7 2.244 0.207 7.523 1.00 0.00 O ATOM 98 CB SER A 7 1.249 0.571 10.960 1.00 0.00 C ATOM 99 OG SER A 7 2.326 -0.337 11.176 1.00 0.00 O ATOM 0 H SER A 7 0.413 -1.011 8.509 1.00 0.00 H new ATOM 0 HA SER A 7 0.524 1.761 9.342 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.489 1.533 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.354 0.198 11.459 1.00 0.00 H new ATOM 0 HG SER A 7 2.483 -0.436 12.138 1.00 0.00 H new ATOM 105 N ALA A 8 3.331 1.138 9.274 1.00 0.00 N ATOM 106 CA ALA A 8 4.630 1.115 8.623 1.00 0.00 C ATOM 107 C ALA A 8 5.017 -0.334 8.319 1.00 0.00 C ATOM 108 O ALA A 8 4.161 -1.153 7.987 1.00 0.00 O ATOM 109 CB ALA A 8 5.658 1.819 9.510 1.00 0.00 C ATOM 0 H ALA A 8 3.333 1.528 10.216 1.00 0.00 H new ATOM 0 HA ALA A 8 4.594 1.653 7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.632 1.802 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.352 2.852 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.724 1.305 10.469 1.00 0.00 H new ATOM 115 N ASN A 9 6.308 -0.606 8.443 1.00 0.00 N ATOM 116 CA ASN A 9 6.819 -1.942 8.185 1.00 0.00 C ATOM 117 C ASN A 9 6.399 -2.382 6.782 1.00 0.00 C ATOM 118 O ASN A 9 7.121 -2.151 5.813 1.00 0.00 O ATOM 119 CB ASN A 9 6.253 -2.951 9.186 1.00 0.00 C ATOM 120 CG ASN A 9 7.022 -2.902 10.508 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.863 -3.737 10.798 1.00 0.00 O ATOM 122 ND2 ASN A 9 6.687 -1.881 11.291 1.00 0.00 N ATOM 0 H ASN A 9 7.015 0.076 8.719 1.00 0.00 H new ATOM 0 HA ASN A 9 7.905 -1.911 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.199 -2.738 9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.308 -3.955 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.143 -1.761 12.196 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.974 -1.218 10.987 1.00 0.00 H new ATOM 129 N GLN A 10 5.234 -3.008 6.716 1.00 0.00 N ATOM 130 CA GLN A 10 4.709 -3.483 5.447 1.00 0.00 C ATOM 131 C GLN A 10 4.647 -2.336 4.436 1.00 0.00 C ATOM 132 O GLN A 10 4.994 -2.512 3.270 1.00 0.00 O ATOM 133 CB GLN A 10 3.334 -4.129 5.629 1.00 0.00 C ATOM 134 CG GLN A 10 3.155 -5.315 4.679 1.00 0.00 C ATOM 135 CD GLN A 10 3.242 -6.641 5.436 1.00 0.00 C ATOM 136 OE1 GLN A 10 4.210 -7.378 5.342 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.178 -6.904 6.190 1.00 0.00 N ATOM 0 H GLN A 10 4.638 -3.198 7.522 1.00 0.00 H new ATOM 0 HA GLN A 10 5.384 -4.247 5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.219 -4.464 6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.554 -3.390 5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.190 -5.241 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.921 -5.284 3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.401 -6.244 6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.139 -7.766 6.734 1.00 0.00 H new ATOM 146 N CYS A 11 4.202 -1.186 4.921 1.00 0.00 N ATOM 147 CA CYS A 11 4.090 -0.010 4.074 1.00 0.00 C ATOM 148 C CYS A 11 5.104 1.028 4.558 1.00 0.00 C ATOM 149 O CYS A 11 4.774 2.205 4.697 1.00 0.00 O ATOM 150 CB CYS A 11 2.664 0.546 4.065 1.00 0.00 C ATOM 151 SG CYS A 11 1.351 -0.705 4.308 1.00 0.00 S ATOM 0 H CYS A 11 3.915 -1.043 5.889 1.00 0.00 H new ATOM 0 HA CYS A 11 4.312 -0.279 3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.578 1.299 4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.493 1.052 3.115 1.00 0.00 H new ATOM 156 N ALA A 12 6.318 0.555 4.800 1.00 0.00 N ATOM 157 CA ALA A 12 7.382 1.428 5.264 1.00 0.00 C ATOM 158 C ALA A 12 8.403 1.623 4.141 1.00 0.00 C ATOM 159 O ALA A 12 9.609 1.555 4.375 1.00 0.00 O ATOM 160 CB ALA A 12 8.011 0.838 6.528 1.00 0.00 C ATOM 0 H ALA A 12 6.588 -0.422 4.683 1.00 0.00 H new ATOM 0 HA ALA A 12 6.987 2.410 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.810 1.493 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.251 0.747 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.421 -0.147 6.305 1.00 0.00 H new ATOM 166 N VAL A 13 7.882 1.861 2.946 1.00 0.00 N ATOM 167 CA VAL A 13 8.733 2.066 1.787 1.00 0.00 C ATOM 168 C VAL A 13 9.175 3.530 1.736 1.00 0.00 C ATOM 169 O VAL A 13 8.437 4.419 2.156 1.00 0.00 O ATOM 170 CB VAL A 13 8.005 1.617 0.518 1.00 0.00 C ATOM 171 CG1 VAL A 13 8.977 0.969 -0.471 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.852 0.669 0.854 1.00 0.00 C ATOM 0 H VAL A 13 6.881 1.916 2.756 1.00 0.00 H new ATOM 0 HA VAL A 13 9.634 1.457 1.862 1.00 0.00 H new ATOM 0 HB VAL A 13 7.583 2.502 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.434 0.659 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.749 1.688 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.441 0.098 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.351 0.365 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.242 -0.212 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.140 1.178 1.504 1.00 0.00 H new ATOM 182 N PRO A 14 10.409 3.739 1.205 1.00 0.00 N ATOM 183 CA PRO A 14 10.958 5.080 1.094 1.00 0.00 C ATOM 184 C PRO A 14 10.297 5.851 -0.051 1.00 0.00 C ATOM 185 O PRO A 14 10.646 7.000 -0.313 1.00 0.00 O ATOM 186 CB PRO A 14 12.451 4.878 0.890 1.00 0.00 C ATOM 187 CG PRO A 14 12.618 3.439 0.430 1.00 0.00 C ATOM 188 CD PRO A 14 11.312 2.710 0.698 1.00 0.00 C ATOM 0 HA PRO A 14 10.769 5.686 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.841 5.573 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.999 5.059 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.864 3.404 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.439 2.960 0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.920 2.253 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.448 1.909 1.425 1.00 0.00 H new ATOM 196 N ALA A 15 9.353 5.186 -0.701 1.00 0.00 N ATOM 197 CA ALA A 15 8.640 5.794 -1.811 1.00 0.00 C ATOM 198 C ALA A 15 9.395 5.513 -3.112 1.00 0.00 C ATOM 199 O ALA A 15 8.840 5.659 -4.200 1.00 0.00 O ATOM 200 CB ALA A 15 8.467 7.291 -1.549 1.00 0.00 C ATOM 0 H ALA A 15 9.066 4.233 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 15 7.643 5.363 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.932 7.747 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.899 7.436 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.447 7.758 -1.448 1.00 0.00 H new ATOM 206 N LYS A 16 10.649 5.115 -2.957 1.00 0.00 N ATOM 207 CA LYS A 16 11.486 4.812 -4.105 1.00 0.00 C ATOM 208 C LYS A 16 11.455 3.306 -4.371 1.00 0.00 C ATOM 209 O LYS A 16 12.196 2.805 -5.215 1.00 0.00 O ATOM 210 CB LYS A 16 12.896 5.371 -3.903 1.00 0.00 C ATOM 211 CG LYS A 16 13.554 4.764 -2.663 1.00 0.00 C ATOM 212 CD LYS A 16 13.713 3.250 -2.812 1.00 0.00 C ATOM 213 CE LYS A 16 14.862 2.731 -1.945 1.00 0.00 C ATOM 214 NZ LYS A 16 15.895 2.085 -2.786 1.00 0.00 N ATOM 0 H LYS A 16 11.106 4.995 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 16 11.098 5.302 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.504 5.159 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.850 6.455 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.530 5.222 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.951 4.985 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.785 2.754 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.900 3.002 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.304 3.555 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.481 2.017 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.667 1.738 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.473 1.286 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.271 2.776 -3.466 1.00 0.00 H new ATOM 228 N ASP A 17 10.588 2.625 -3.635 1.00 0.00 N ATOM 229 CA ASP A 17 10.451 1.186 -3.781 1.00 0.00 C ATOM 230 C ASP A 17 8.966 0.827 -3.876 1.00 0.00 C ATOM 231 O ASP A 17 8.586 -0.322 -3.655 1.00 0.00 O ATOM 232 CB ASP A 17 11.037 0.451 -2.574 1.00 0.00 C ATOM 233 CG ASP A 17 12.226 -0.460 -2.886 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.158 -1.144 -3.930 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.177 -0.451 -2.075 1.00 0.00 O ATOM 0 H ASP A 17 9.974 3.043 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 17 10.987 0.886 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.348 1.189 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.250 -0.148 -2.115 1.00 0.00 H new ATOM 240 N ARG A 18 8.168 1.832 -4.206 1.00 0.00 N ATOM 241 CA ARG A 18 6.733 1.637 -4.334 1.00 0.00 C ATOM 242 C ARG A 18 6.413 0.887 -5.628 1.00 0.00 C ATOM 243 O ARG A 18 6.412 1.477 -6.708 1.00 0.00 O ATOM 244 CB ARG A 18 5.993 2.975 -4.331 1.00 0.00 C ATOM 245 CG ARG A 18 6.498 3.879 -3.204 1.00 0.00 C ATOM 246 CD ARG A 18 6.222 3.254 -1.835 1.00 0.00 C ATOM 247 NE ARG A 18 6.261 4.297 -0.786 1.00 0.00 N ATOM 248 CZ ARG A 18 5.420 5.339 -0.731 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.471 5.484 -1.665 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.530 6.237 0.258 1.00 0.00 N ATOM 0 H ARG A 18 8.487 2.783 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 18 6.400 1.050 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.131 3.473 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.923 2.803 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.568 4.049 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.012 4.852 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.247 2.766 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.963 2.484 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 18 6.972 4.218 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.388 4.801 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.831 6.277 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.254 6.127 0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.890 7.030 0.300 1.00 0.00 H new ATOM 264 N VAL A 19 6.148 -0.403 -5.478 1.00 0.00 N ATOM 265 CA VAL A 19 5.827 -1.239 -6.621 1.00 0.00 C ATOM 266 C VAL A 19 4.552 -0.717 -7.288 1.00 0.00 C ATOM 267 O VAL A 19 4.279 -1.032 -8.445 1.00 0.00 O ATOM 268 CB VAL A 19 5.718 -2.702 -6.186 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.730 -3.637 -7.397 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.831 -3.065 -5.201 1.00 0.00 C ATOM 0 H VAL A 19 6.149 -0.889 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 19 6.624 -1.193 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 19 4.764 -2.829 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.651 -4.670 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.887 -3.402 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.661 -3.505 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.731 -4.110 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.801 -2.913 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.756 -2.431 -4.317 1.00 0.00 H new ATOM 280 N ASP A 20 3.806 0.072 -6.528 1.00 0.00 N ATOM 281 CA ASP A 20 2.567 0.641 -7.031 1.00 0.00 C ATOM 282 C ASP A 20 1.640 -0.489 -7.484 1.00 0.00 C ATOM 283 O ASP A 20 1.924 -1.174 -8.466 1.00 0.00 O ATOM 284 CB ASP A 20 2.827 1.551 -8.233 1.00 0.00 C ATOM 285 CG ASP A 20 1.589 1.892 -9.065 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.546 2.181 -8.439 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.713 1.856 -10.308 1.00 0.00 O ATOM 0 H ASP A 20 4.036 0.330 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 20 2.113 1.224 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.274 2.479 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.561 1.072 -8.881 1.00 0.00 H new ATOM 292 N CYS A 21 0.550 -0.648 -6.748 1.00 0.00 N ATOM 293 CA CYS A 21 -0.421 -1.682 -7.063 1.00 0.00 C ATOM 294 C CYS A 21 -1.365 -1.144 -8.139 1.00 0.00 C ATOM 295 O CYS A 21 -2.164 -1.892 -8.701 1.00 0.00 O ATOM 296 CB CYS A 21 -1.180 -2.143 -5.817 1.00 0.00 C ATOM 297 SG CYS A 21 -0.776 -1.222 -4.288 1.00 0.00 S ATOM 0 H CYS A 21 0.318 -0.078 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 21 0.094 -2.564 -7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.250 -2.053 -6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.973 -3.200 -5.653 1.00 0.00 H new ATOM 302 N GLY A 22 -1.243 0.151 -8.394 1.00 0.00 N ATOM 303 CA GLY A 22 -2.076 0.799 -9.393 1.00 0.00 C ATOM 304 C GLY A 22 -3.560 0.648 -9.051 1.00 0.00 C ATOM 305 O GLY A 22 -4.168 -0.378 -9.350 1.00 0.00 O ATOM 0 H GLY A 22 -0.580 0.769 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.819 1.856 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.879 0.365 -10.373 1.00 0.00 H new ATOM 309 N TYR A 23 -4.099 1.687 -8.430 1.00 0.00 N ATOM 310 CA TYR A 23 -5.500 1.684 -8.045 1.00 0.00 C ATOM 311 C TYR A 23 -6.029 3.111 -7.888 1.00 0.00 C ATOM 312 O TYR A 23 -5.300 4.003 -7.457 1.00 0.00 O ATOM 313 CB TYR A 23 -5.562 0.978 -6.689 1.00 0.00 C ATOM 314 CG TYR A 23 -6.762 0.043 -6.528 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.085 -0.845 -7.535 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.523 0.087 -5.378 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.214 -1.725 -7.384 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.652 -0.793 -5.227 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.943 -1.656 -6.238 1.00 0.00 C ATOM 320 OH TYR A 23 -10.010 -2.487 -6.095 1.00 0.00 O ATOM 0 H TYR A 23 -3.591 2.536 -8.184 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.106 1.188 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.646 0.404 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.592 1.730 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.490 -0.879 -8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.271 0.782 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.476 -2.425 -8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.255 -0.769 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.098 -3.047 -6.894 1.00 0.00 H new ATOM 330 N PRO A 24 -7.326 3.287 -8.256 1.00 0.00 N ATOM 331 CA PRO A 24 -7.961 4.590 -8.161 1.00 0.00 C ATOM 332 C PRO A 24 -8.291 4.934 -6.707 1.00 0.00 C ATOM 333 O PRO A 24 -7.502 5.587 -6.026 1.00 0.00 O ATOM 334 CB PRO A 24 -9.195 4.492 -9.042 1.00 0.00 C ATOM 335 CG PRO A 24 -9.459 3.006 -9.227 1.00 0.00 C ATOM 336 CD PRO A 24 -8.220 2.253 -8.771 1.00 0.00 C ATOM 0 HA PRO A 24 -7.312 5.399 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.048 4.985 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.030 4.982 -10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.329 2.697 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.678 2.784 -10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.463 1.520 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.762 1.708 -9.596 1.00 0.00 H new ATOM 344 N HIS A 25 -9.458 4.480 -6.275 1.00 0.00 N ATOM 345 CA HIS A 25 -9.902 4.731 -4.914 1.00 0.00 C ATOM 346 C HIS A 25 -8.866 4.189 -3.928 1.00 0.00 C ATOM 347 O HIS A 25 -8.977 3.054 -3.466 1.00 0.00 O ATOM 348 CB HIS A 25 -11.299 4.154 -4.683 1.00 0.00 C ATOM 349 CG HIS A 25 -11.450 2.716 -5.119 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.674 2.152 -5.435 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.518 1.734 -5.290 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.476 0.888 -5.778 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.140 0.631 -5.687 1.00 0.00 N ATOM 0 H HIS A 25 -10.110 3.940 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.984 5.805 -4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.541 4.229 -3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.026 4.764 -5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.455 1.837 -5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.239 0.184 -6.077 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.692 -0.262 -5.891 1.00 0.00 H new ATOM 362 N VAL A 26 -7.881 5.026 -3.634 1.00 0.00 N ATOM 363 CA VAL A 26 -6.826 4.645 -2.710 1.00 0.00 C ATOM 364 C VAL A 26 -6.876 5.555 -1.482 1.00 0.00 C ATOM 365 O VAL A 26 -6.681 6.765 -1.592 1.00 0.00 O ATOM 366 CB VAL A 26 -5.472 4.675 -3.422 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.428 3.654 -4.561 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.152 6.081 -3.933 1.00 0.00 C ATOM 0 H VAL A 26 -7.792 5.966 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.973 3.622 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.706 4.400 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.455 3.696 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.589 2.654 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.209 3.884 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.184 6.074 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.923 6.397 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.120 6.775 -3.093 1.00 0.00 H new ATOM 378 N THR A 27 -7.138 4.939 -0.338 1.00 0.00 N ATOM 379 CA THR A 27 -7.215 5.678 0.910 1.00 0.00 C ATOM 380 C THR A 27 -6.335 5.022 1.975 1.00 0.00 C ATOM 381 O THR A 27 -5.835 3.915 1.776 1.00 0.00 O ATOM 382 CB THR A 27 -8.688 5.772 1.313 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.955 4.523 1.946 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.626 5.785 0.104 1.00 0.00 C ATOM 0 H THR A 27 -7.300 3.936 -0.250 1.00 0.00 H new ATOM 0 HA THR A 27 -6.829 6.691 0.794 1.00 0.00 H new ATOM 0 HB THR A 27 -8.846 6.674 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.329 4.682 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.659 5.853 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.395 6.644 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.493 4.868 -0.470 1.00 0.00 H new ATOM 392 N PRO A 28 -6.167 5.750 3.111 1.00 0.00 N ATOM 393 CA PRO A 28 -5.356 5.250 4.208 1.00 0.00 C ATOM 394 C PRO A 28 -6.092 4.153 4.979 1.00 0.00 C ATOM 395 O PRO A 28 -5.999 4.081 6.203 1.00 0.00 O ATOM 396 CB PRO A 28 -5.050 6.471 5.059 1.00 0.00 C ATOM 397 CG PRO A 28 -6.079 7.520 4.670 1.00 0.00 C ATOM 398 CD PRO A 28 -6.744 7.064 3.381 1.00 0.00 C ATOM 0 HA PRO A 28 -4.435 4.777 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.117 6.234 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.037 6.831 4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.820 7.640 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.602 8.490 4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.827 7.006 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.545 7.759 2.565 1.00 0.00 H new ATOM 406 N LYS A 29 -6.806 3.325 4.230 1.00 0.00 N ATOM 407 CA LYS A 29 -7.557 2.235 4.828 1.00 0.00 C ATOM 408 C LYS A 29 -8.217 1.409 3.721 1.00 0.00 C ATOM 409 O LYS A 29 -8.296 0.185 3.818 1.00 0.00 O ATOM 410 CB LYS A 29 -8.544 2.770 5.867 1.00 0.00 C ATOM 411 CG LYS A 29 -8.849 1.713 6.930 1.00 0.00 C ATOM 412 CD LYS A 29 -10.243 1.116 6.726 1.00 0.00 C ATOM 413 CE LYS A 29 -10.515 0.002 7.738 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.817 0.218 8.409 1.00 0.00 N ATOM 0 H LYS A 29 -6.880 3.387 3.215 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.890 1.566 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.131 3.660 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.468 3.072 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.101 0.922 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.783 2.160 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.996 1.897 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.329 0.722 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.515 -0.964 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.717 -0.026 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.986 -0.547 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.804 1.131 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.577 0.222 7.699 1.00 0.00 H new ATOM 428 N GLU A 30 -8.674 2.111 2.695 1.00 0.00 N ATOM 429 CA GLU A 30 -9.324 1.459 1.572 1.00 0.00 C ATOM 430 C GLU A 30 -8.279 0.859 0.629 1.00 0.00 C ATOM 431 O GLU A 30 -8.502 -0.198 0.040 1.00 0.00 O ATOM 432 CB GLU A 30 -10.240 2.432 0.827 1.00 0.00 C ATOM 433 CG GLU A 30 -11.097 1.697 -0.206 1.00 0.00 C ATOM 434 CD GLU A 30 -12.562 2.130 -0.110 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.842 3.279 -0.514 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.369 1.301 0.364 1.00 0.00 O ATOM 0 H GLU A 30 -8.607 3.126 2.618 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.945 0.650 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.885 2.948 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.640 3.194 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.719 1.900 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.021 0.621 -0.048 1.00 0.00 H new ATOM 443 N CYS A 31 -7.161 1.560 0.514 1.00 0.00 N ATOM 444 CA CYS A 31 -6.080 1.110 -0.347 1.00 0.00 C ATOM 445 C CYS A 31 -5.365 -0.052 0.346 1.00 0.00 C ATOM 446 O CYS A 31 -4.804 -0.923 -0.316 1.00 0.00 O ATOM 447 CB CYS A 31 -5.118 2.249 -0.690 1.00 0.00 C ATOM 448 SG CYS A 31 -3.405 1.723 -1.057 1.00 0.00 S ATOM 0 H CYS A 31 -6.980 2.437 1.003 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.488 0.768 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.510 2.789 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.097 2.951 0.144 1.00 0.00 H new ATOM 453 N ASN A 32 -5.409 -0.026 1.670 1.00 0.00 N ATOM 454 CA ASN A 32 -4.773 -1.066 2.459 1.00 0.00 C ATOM 455 C ASN A 32 -5.813 -2.123 2.838 1.00 0.00 C ATOM 456 O ASN A 32 -5.501 -3.083 3.540 1.00 0.00 O ATOM 457 CB ASN A 32 -4.187 -0.496 3.753 1.00 0.00 C ATOM 458 CG ASN A 32 -4.917 -1.051 4.977 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.363 -1.775 5.787 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.189 -0.672 5.066 1.00 0.00 N ATOM 0 H ASN A 32 -5.875 0.699 2.216 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.972 -1.500 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.127 -0.742 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.262 0.591 3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.762 -0.989 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.591 -0.064 4.353 1.00 0.00 H new ATOM 467 N ASN A 33 -7.028 -1.909 2.355 1.00 0.00 N ATOM 468 CA ASN A 33 -8.117 -2.831 2.634 1.00 0.00 C ATOM 469 C ASN A 33 -8.336 -3.736 1.420 1.00 0.00 C ATOM 470 O ASN A 33 -8.545 -4.940 1.568 1.00 0.00 O ATOM 471 CB ASN A 33 -9.421 -2.078 2.903 1.00 0.00 C ATOM 472 CG ASN A 33 -10.626 -3.016 2.806 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.943 -3.555 1.759 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.277 -3.180 3.954 1.00 0.00 N ATOM 0 H ASN A 33 -7.283 -1.111 1.773 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.848 -3.413 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.386 -1.626 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.530 -1.265 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.095 -3.787 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.958 -2.698 4.795 1.00 0.00 H new ATOM 481 N ARG A 34 -8.281 -3.123 0.247 1.00 0.00 N ATOM 482 CA ARG A 34 -8.471 -3.859 -0.992 1.00 0.00 C ATOM 483 C ARG A 34 -7.429 -4.973 -1.112 1.00 0.00 C ATOM 484 O ARG A 34 -7.672 -5.987 -1.765 1.00 0.00 O ATOM 485 CB ARG A 34 -8.360 -2.933 -2.205 1.00 0.00 C ATOM 486 CG ARG A 34 -9.330 -3.358 -3.309 1.00 0.00 C ATOM 487 CD ARG A 34 -9.175 -4.845 -3.634 1.00 0.00 C ATOM 488 NE ARG A 34 -9.862 -5.160 -4.906 1.00 0.00 N ATOM 489 CZ ARG A 34 -10.233 -6.393 -5.274 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.984 -7.436 -4.470 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.852 -6.585 -6.447 1.00 0.00 N ATOM 0 H ARG A 34 -8.108 -2.125 0.128 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.471 -4.293 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.572 -1.907 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.339 -2.949 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.354 -3.156 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.148 -2.765 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.118 -5.101 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.592 -5.447 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.066 -4.390 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.512 -7.291 -3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.267 -8.375 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.041 -5.792 -7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.134 -7.524 -6.727 1.00 0.00 H new ATOM 505 N GLY A 35 -6.291 -4.747 -0.473 1.00 0.00 N ATOM 506 CA GLY A 35 -5.211 -5.719 -0.500 1.00 0.00 C ATOM 507 C GLY A 35 -3.927 -5.097 -1.052 1.00 0.00 C ATOM 508 O GLY A 35 -3.544 -5.363 -2.191 1.00 0.00 O ATOM 0 H GLY A 35 -6.093 -3.905 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.032 -6.097 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.500 -6.572 -1.115 1.00 0.00 H new ATOM 512 N CYS A 36 -3.298 -4.281 -0.220 1.00 0.00 N ATOM 513 CA CYS A 36 -2.065 -3.619 -0.611 1.00 0.00 C ATOM 514 C CYS A 36 -1.660 -2.657 0.508 1.00 0.00 C ATOM 515 O CYS A 36 -2.019 -2.861 1.667 1.00 0.00 O ATOM 516 CB CYS A 36 -2.209 -2.901 -1.955 1.00 0.00 C ATOM 517 SG CYS A 36 -0.810 -3.145 -3.109 1.00 0.00 S ATOM 0 H CYS A 36 -3.619 -4.063 0.723 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.280 -4.362 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.124 -3.244 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.327 -1.833 -1.770 1.00 0.00 H new ATOM 522 N CYS A 37 -0.917 -1.630 0.123 1.00 0.00 N ATOM 523 CA CYS A 37 -0.460 -0.637 1.079 1.00 0.00 C ATOM 524 C CYS A 37 -0.799 0.751 0.531 1.00 0.00 C ATOM 525 O CYS A 37 -0.799 0.960 -0.682 1.00 0.00 O ATOM 526 CB CYS A 37 1.034 -0.783 1.377 1.00 0.00 C ATOM 527 SG CYS A 37 1.442 -2.014 2.668 1.00 0.00 S ATOM 0 H CYS A 37 -0.620 -1.464 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.970 -0.785 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.549 -1.059 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.426 0.187 1.683 1.00 0.00 H new ATOM 532 N PHE A 38 -1.080 1.663 1.449 1.00 0.00 N ATOM 533 CA PHE A 38 -1.420 3.025 1.073 1.00 0.00 C ATOM 534 C PHE A 38 -0.371 4.014 1.584 1.00 0.00 C ATOM 535 O PHE A 38 0.555 3.628 2.297 1.00 0.00 O ATOM 536 CB PHE A 38 -2.767 3.346 1.724 1.00 0.00 C ATOM 537 CG PHE A 38 -3.195 4.808 1.580 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.876 5.211 0.474 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.894 5.704 2.558 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.273 6.568 0.341 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.291 7.061 2.425 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.972 7.464 1.319 1.00 0.00 C ATOM 0 H PHE A 38 -1.079 1.486 2.453 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.462 3.111 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.533 2.709 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.716 3.096 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.115 4.500 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.353 5.383 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.814 6.889 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.052 7.772 3.202 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.274 8.496 1.217 1.00 0.00 H new ATOM 552 N ASP A 39 -0.550 5.269 1.200 1.00 0.00 N ATOM 553 CA ASP A 39 0.370 6.316 1.611 1.00 0.00 C ATOM 554 C ASP A 39 -0.114 7.659 1.061 1.00 0.00 C ATOM 555 O ASP A 39 -0.632 7.727 -0.053 1.00 0.00 O ATOM 556 CB ASP A 39 1.775 6.060 1.065 1.00 0.00 C ATOM 557 CG ASP A 39 2.730 7.253 1.149 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.721 8.055 0.190 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.445 7.336 2.170 1.00 0.00 O ATOM 0 H ASP A 39 -1.319 5.585 0.608 1.00 0.00 H new ATOM 0 HA ASP A 39 0.403 6.327 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.213 5.224 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.693 5.753 0.022 1.00 0.00 H new ATOM 564 N SER A 40 0.071 8.694 1.867 1.00 0.00 N ATOM 565 CA SER A 40 -0.340 10.031 1.474 1.00 0.00 C ATOM 566 C SER A 40 0.776 11.032 1.779 1.00 0.00 C ATOM 567 O SER A 40 0.566 12.242 1.707 1.00 0.00 O ATOM 568 CB SER A 40 -1.630 10.442 2.186 1.00 0.00 C ATOM 569 OG SER A 40 -1.465 10.498 3.601 1.00 0.00 O ATOM 0 H SER A 40 0.500 8.634 2.790 1.00 0.00 H new ATOM 0 HA SER A 40 -0.534 10.028 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.951 11.417 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.421 9.733 1.941 1.00 0.00 H new ATOM 0 HG SER A 40 -2.310 10.766 4.019 1.00 0.00 H new ATOM 575 N ARG A 41 1.938 10.491 2.113 1.00 0.00 N ATOM 576 CA ARG A 41 3.088 11.322 2.429 1.00 0.00 C ATOM 577 C ARG A 41 3.444 12.211 1.236 1.00 0.00 C ATOM 578 O ARG A 41 3.618 13.419 1.388 1.00 0.00 O ATOM 579 CB ARG A 41 4.301 10.466 2.799 1.00 0.00 C ATOM 580 CG ARG A 41 5.136 11.140 3.890 1.00 0.00 C ATOM 581 CD ARG A 41 6.606 10.728 3.789 1.00 0.00 C ATOM 582 NE ARG A 41 7.220 10.711 5.135 1.00 0.00 N ATOM 583 CZ ARG A 41 8.327 10.024 5.447 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.948 9.293 4.512 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.813 10.068 6.695 1.00 0.00 N ATOM 0 H ARG A 41 2.108 9.487 2.172 1.00 0.00 H new ATOM 0 HA ARG A 41 2.823 11.944 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.968 9.487 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.917 10.300 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.051 12.223 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.745 10.870 4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.685 9.742 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.144 11.423 3.144 1.00 0.00 H new ATOM 0 HE ARG A 41 6.772 11.257 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.578 9.259 3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.791 8.770 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.340 10.624 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.656 9.545 6.933 1.00 0.00 H new ATOM 599 N ILE A 42 3.542 11.579 0.076 1.00 0.00 N ATOM 600 CA ILE A 42 3.874 12.297 -1.142 1.00 0.00 C ATOM 601 C ILE A 42 3.064 11.722 -2.306 1.00 0.00 C ATOM 602 O ILE A 42 2.972 10.505 -2.461 1.00 0.00 O ATOM 603 CB ILE A 42 5.386 12.282 -1.378 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.046 11.122 -0.629 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.011 13.630 -1.015 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.523 9.775 -1.133 1.00 0.00 C ATOM 0 H ILE A 42 3.397 10.577 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 42 3.599 13.348 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 42 5.565 12.121 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.127 11.168 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.850 11.216 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.086 13.592 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.569 14.413 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.824 13.846 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.008 8.968 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.445 9.722 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.742 9.674 -2.196 1.00 0.00 H new ATOM 618 N PRO A 43 2.482 12.648 -3.114 1.00 0.00 N ATOM 619 CA PRO A 43 1.683 12.245 -4.259 1.00 0.00 C ATOM 620 C PRO A 43 2.572 11.754 -5.403 1.00 0.00 C ATOM 621 O PRO A 43 2.215 10.815 -6.112 1.00 0.00 O ATOM 622 CB PRO A 43 0.870 13.477 -4.625 1.00 0.00 C ATOM 623 CG PRO A 43 1.580 14.653 -3.972 1.00 0.00 C ATOM 624 CD PRO A 43 2.569 14.097 -2.961 1.00 0.00 C ATOM 0 HA PRO A 43 1.027 11.403 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.818 13.604 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.155 13.390 -4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.097 15.251 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.861 15.309 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.579 14.456 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.313 14.404 -1.947 1.00 0.00 H new ATOM 632 N GLY A 44 3.713 12.412 -5.548 1.00 0.00 N ATOM 633 CA GLY A 44 4.656 12.054 -6.594 1.00 0.00 C ATOM 634 C GLY A 44 4.728 10.536 -6.771 1.00 0.00 C ATOM 635 O GLY A 44 4.668 10.036 -7.893 1.00 0.00 O ATOM 0 H GLY A 44 4.006 13.191 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.357 12.519 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.644 12.442 -6.346 1.00 0.00 H new ATOM 639 N VAL A 45 4.854 9.847 -5.647 1.00 0.00 N ATOM 640 CA VAL A 45 4.935 8.396 -5.665 1.00 0.00 C ATOM 641 C VAL A 45 3.521 7.811 -5.689 1.00 0.00 C ATOM 642 O VAL A 45 2.543 8.534 -5.502 1.00 0.00 O ATOM 643 CB VAL A 45 5.765 7.904 -4.478 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.839 8.925 -4.099 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.870 7.578 -3.280 1.00 0.00 C ATOM 0 H VAL A 45 4.902 10.266 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 45 5.444 8.053 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 45 6.268 6.985 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.415 8.550 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.504 9.085 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.365 9.868 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.485 7.231 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.326 8.473 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.161 6.798 -3.557 1.00 0.00 H new ATOM 655 N PRO A 46 3.456 6.473 -5.926 1.00 0.00 N ATOM 656 CA PRO A 46 2.179 5.783 -5.977 1.00 0.00 C ATOM 657 C PRO A 46 1.599 5.598 -4.573 1.00 0.00 C ATOM 658 O PRO A 46 1.858 4.588 -3.919 1.00 0.00 O ATOM 659 CB PRO A 46 2.470 4.467 -6.678 1.00 0.00 C ATOM 660 CG PRO A 46 3.974 4.265 -6.578 1.00 0.00 C ATOM 661 CD PRO A 46 4.593 5.586 -6.151 1.00 0.00 C ATOM 0 HA PRO A 46 1.418 6.346 -6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.933 3.645 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.149 4.500 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.207 3.483 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.381 3.945 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.189 5.470 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.256 5.980 -6.921 1.00 0.00 H new ATOM 669 N TRP A 47 0.827 6.588 -4.150 1.00 0.00 N ATOM 670 CA TRP A 47 0.209 6.546 -2.836 1.00 0.00 C ATOM 671 C TRP A 47 -0.012 5.078 -2.463 1.00 0.00 C ATOM 672 O TRP A 47 0.470 4.617 -1.430 1.00 0.00 O ATOM 673 CB TRP A 47 -1.080 7.370 -2.810 1.00 0.00 C ATOM 674 CG TRP A 47 -0.876 8.832 -2.408 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.222 9.585 -2.564 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.845 9.693 -1.774 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.032 10.863 -2.079 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.265 10.931 -1.583 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.169 9.435 -1.376 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.934 12.007 -0.989 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.824 10.521 -0.784 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.254 11.773 -0.584 1.00 0.00 C ATOM 0 H TRP A 47 0.615 7.424 -4.694 1.00 0.00 H new ATOM 0 HA TRP A 47 0.860 7.000 -2.089 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.541 7.336 -3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.781 6.907 -2.115 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.140 9.235 -3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.717 11.619 -2.084 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.643 8.475 -1.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.458 12.966 -0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.844 10.376 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.826 12.562 -0.118 1.00 0.00 H new ATOM 693 N CYS A 48 -0.742 4.386 -3.326 1.00 0.00 N ATOM 694 CA CYS A 48 -1.033 2.980 -3.100 1.00 0.00 C ATOM 695 C CYS A 48 0.076 2.150 -3.750 1.00 0.00 C ATOM 696 O CYS A 48 0.368 2.315 -4.933 1.00 0.00 O ATOM 697 CB CYS A 48 -2.416 2.597 -3.629 1.00 0.00 C ATOM 698 SG CYS A 48 -3.141 1.099 -2.867 1.00 0.00 S ATOM 0 H CYS A 48 -1.140 4.772 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.057 2.778 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.095 3.434 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.348 2.443 -4.706 1.00 0.00 H new ATOM 703 N PHE A 49 0.665 1.275 -2.947 1.00 0.00 N ATOM 704 CA PHE A 49 1.735 0.419 -3.429 1.00 0.00 C ATOM 705 C PHE A 49 1.741 -0.920 -2.689 1.00 0.00 C ATOM 706 O PHE A 49 1.061 -1.077 -1.676 1.00 0.00 O ATOM 707 CB PHE A 49 3.051 1.148 -3.150 1.00 0.00 C ATOM 708 CG PHE A 49 3.157 1.721 -1.736 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.324 0.887 -0.675 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.085 3.065 -1.539 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.423 1.419 0.638 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.184 3.597 -0.226 1.00 0.00 C ATOM 713 CZ PHE A 49 3.351 2.763 0.835 1.00 0.00 C ATOM 0 H PHE A 49 0.421 1.141 -1.966 1.00 0.00 H new ATOM 0 HA PHE A 49 1.599 0.216 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.879 0.458 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.165 1.959 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.381 -0.180 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.953 3.728 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.555 0.756 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.127 4.664 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.426 3.167 1.834 1.00 0.00 H new ATOM 723 N LYS A 50 2.517 -1.852 -3.224 1.00 0.00 N ATOM 724 CA LYS A 50 2.621 -3.172 -2.627 1.00 0.00 C ATOM 725 C LYS A 50 3.419 -3.078 -1.325 1.00 0.00 C ATOM 726 O LYS A 50 4.078 -2.071 -1.068 1.00 0.00 O ATOM 727 CB LYS A 50 3.199 -4.171 -3.632 1.00 0.00 C ATOM 728 CG LYS A 50 2.516 -4.035 -4.994 1.00 0.00 C ATOM 729 CD LYS A 50 2.998 -5.120 -5.959 1.00 0.00 C ATOM 730 CE LYS A 50 2.174 -6.399 -5.802 1.00 0.00 C ATOM 731 NZ LYS A 50 2.271 -7.232 -7.022 1.00 0.00 N ATOM 0 H LYS A 50 3.079 -1.718 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 50 1.632 -3.551 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.271 -4.005 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.070 -5.186 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.435 -4.106 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.725 -3.051 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.923 -4.759 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.050 -5.336 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.529 -6.964 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.131 -6.146 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.706 -8.096 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.911 -6.697 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.265 -7.489 -7.189 1.00 0.00 H new ATOM 745 N PRO A 51 3.333 -4.168 -0.517 1.00 0.00 N ATOM 746 CA PRO A 51 4.040 -4.218 0.752 1.00 0.00 C ATOM 747 C PRO A 51 5.536 -4.453 0.537 1.00 0.00 C ATOM 748 O PRO A 51 5.927 -5.375 -0.177 1.00 0.00 O ATOM 749 CB PRO A 51 3.369 -5.336 1.532 1.00 0.00 C ATOM 750 CG PRO A 51 2.626 -6.175 0.505 1.00 0.00 C ATOM 751 CD PRO A 51 2.563 -5.378 -0.789 1.00 0.00 C ATOM 0 HA PRO A 51 3.985 -3.278 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.106 -5.936 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.683 -4.934 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.138 -7.124 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.622 -6.410 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.988 -5.939 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.534 -5.140 -1.058 1.00 0.00 H new ATOM 759 N LEU A 52 6.333 -3.602 1.168 1.00 0.00 N ATOM 760 CA LEU A 52 7.778 -3.706 1.055 1.00 0.00 C ATOM 761 C LEU A 52 8.174 -5.182 0.979 1.00 0.00 C ATOM 762 O LEU A 52 7.636 -6.011 1.712 1.00 0.00 O ATOM 763 CB LEU A 52 8.460 -2.943 2.192 1.00 0.00 C ATOM 764 CG LEU A 52 9.916 -3.320 2.474 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.604 -2.253 3.327 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.009 -4.709 3.109 1.00 0.00 C ATOM 0 H LEU A 52 6.005 -2.838 1.759 1.00 0.00 H new ATOM 0 HA LEU A 52 8.124 -3.236 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.419 -1.878 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.883 -3.097 3.104 1.00 0.00 H new ATOM 0 HG LEU A 52 10.448 -3.364 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.637 -2.546 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.586 -1.299 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.079 -2.153 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.054 -4.953 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.458 -4.717 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.582 -5.448 2.431 1.00 0.00 H new ATOM 778 N GLN A 53 9.112 -5.464 0.087 1.00 0.00 N ATOM 779 CA GLN A 53 9.587 -6.826 -0.093 1.00 0.00 C ATOM 780 C GLN A 53 10.281 -7.319 1.178 1.00 0.00 C ATOM 781 O GLN A 53 11.508 -7.372 1.240 1.00 0.00 O ATOM 782 CB GLN A 53 10.522 -6.925 -1.301 1.00 0.00 C ATOM 783 CG GLN A 53 9.807 -7.557 -2.497 1.00 0.00 C ATOM 784 CD GLN A 53 9.348 -6.487 -3.489 1.00 0.00 C ATOM 785 OE1 GLN A 53 9.613 -6.552 -4.679 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.647 -5.501 -2.936 1.00 0.00 N ATOM 0 H GLN A 53 9.556 -4.774 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 53 8.727 -7.467 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.880 -5.931 -1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.397 -7.520 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.476 -8.258 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.947 -8.129 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.461 -5.508 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.296 -4.738 -3.515 1.00 0.00 H new ATOM 795 N GLU A 54 9.464 -7.668 2.162 1.00 0.00 N ATOM 796 CA GLU A 54 9.984 -8.155 3.428 1.00 0.00 C ATOM 797 C GLU A 54 11.149 -9.117 3.189 1.00 0.00 C ATOM 798 O GLU A 54 11.017 -10.083 2.438 1.00 0.00 O ATOM 799 CB GLU A 54 8.881 -8.822 4.253 1.00 0.00 C ATOM 800 CG GLU A 54 8.716 -10.292 3.860 1.00 0.00 C ATOM 801 CD GLU A 54 7.426 -10.873 4.442 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.419 -10.134 4.441 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.477 -12.045 4.876 1.00 0.00 O ATOM 0 H GLU A 54 8.446 -7.623 2.108 1.00 0.00 H new ATOM 0 HA GLU A 54 10.354 -7.303 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.121 -8.750 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.939 -8.294 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.702 -10.383 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.571 -10.866 4.217 1.00 0.00 H new ATOM 810 N ALA A 55 12.263 -8.821 3.842 1.00 0.00 N ATOM 811 CA ALA A 55 13.450 -9.648 3.710 1.00 0.00 C ATOM 812 C ALA A 55 14.528 -9.143 4.670 1.00 0.00 C ATOM 813 O ALA A 55 14.884 -7.965 4.646 1.00 0.00 O ATOM 814 CB ALA A 55 13.918 -9.642 2.253 1.00 0.00 C ATOM 0 H ALA A 55 12.369 -8.020 4.464 1.00 0.00 H new ATOM 0 HA ALA A 55 13.229 -10.681 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.809 -10.263 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.128 -10.038 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.152 -8.621 1.950 1.00 0.00 H new ATOM 820 N GLU A 56 15.019 -10.058 5.493 1.00 0.00 N ATOM 821 CA GLU A 56 16.050 -9.719 6.460 1.00 0.00 C ATOM 822 C GLU A 56 15.562 -8.604 7.387 1.00 0.00 C ATOM 823 O GLU A 56 14.525 -7.993 7.137 1.00 0.00 O ATOM 824 CB GLU A 56 17.350 -9.319 5.759 1.00 0.00 C ATOM 825 CG GLU A 56 17.927 -10.493 4.964 1.00 0.00 C ATOM 826 CD GLU A 56 17.290 -10.582 3.576 1.00 0.00 C ATOM 827 OE1 GLU A 56 17.653 -9.738 2.730 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.454 -11.493 3.394 1.00 0.00 O ATOM 0 H GLU A 56 14.722 -11.034 5.510 1.00 0.00 H new ATOM 0 HA GLU A 56 16.258 -10.602 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.163 -8.479 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 18.077 -8.983 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.006 -10.375 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.756 -11.423 5.507 1.00 0.00 H new ATOM 835 N CYS A 57 16.334 -8.373 8.439 1.00 0.00 N ATOM 836 CA CYS A 57 15.993 -7.342 9.405 1.00 0.00 C ATOM 837 C CYS A 57 14.829 -7.850 10.259 1.00 0.00 C ATOM 838 O CYS A 57 14.998 -8.118 11.448 1.00 0.00 O ATOM 839 CB CYS A 57 15.663 -6.014 8.722 1.00 0.00 C ATOM 840 SG CYS A 57 16.838 -5.511 7.412 1.00 0.00 S ATOM 0 H CYS A 57 17.194 -8.882 8.644 1.00 0.00 H new ATOM 0 HA CYS A 57 16.852 -7.142 10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.665 -6.083 8.289 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.628 -5.231 9.479 1.00 0.00 H new ATOM 0 HG CYS A 57 16.460 -4.376 6.903 1.00 0.00 H new ATOM 845 N THR A 58 13.675 -7.966 9.620 1.00 0.00 N ATOM 846 CA THR A 58 12.483 -8.436 10.305 1.00 0.00 C ATOM 847 C THR A 58 12.010 -9.761 9.704 1.00 0.00 C ATOM 848 O THR A 58 12.261 -10.040 8.533 1.00 0.00 O ATOM 849 CB THR A 58 11.431 -7.328 10.239 1.00 0.00 C ATOM 850 OG1 THR A 58 10.360 -7.817 11.042 1.00 0.00 O ATOM 851 CG2 THR A 58 10.817 -7.187 8.844 1.00 0.00 C ATOM 0 H THR A 58 13.540 -7.742 8.634 1.00 0.00 H new ATOM 0 HA THR A 58 12.687 -8.646 11.355 1.00 0.00 H new ATOM 0 HB THR A 58 11.882 -6.381 10.535 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.634 -7.159 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.077 -6.387 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.600 -6.950 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.336 -8.124 8.562 1.00 0.00 H new ATOM 859 N PHE A 59 11.333 -10.542 10.533 1.00 0.00 N ATOM 860 CA PHE A 59 10.822 -11.831 10.098 1.00 0.00 C ATOM 861 C PHE A 59 10.262 -11.747 8.677 1.00 0.00 C ATOM 862 O PHE A 59 10.341 -12.711 7.917 1.00 0.00 O ATOM 863 CB PHE A 59 9.693 -12.211 11.057 1.00 0.00 C ATOM 864 CG PHE A 59 8.910 -13.456 10.635 1.00 0.00 C ATOM 865 CD1 PHE A 59 9.439 -14.693 10.836 1.00 0.00 C ATOM 866 CD2 PHE A 59 7.685 -13.327 10.058 1.00 0.00 C ATOM 867 CE1 PHE A 59 8.713 -15.849 10.444 1.00 0.00 C ATOM 868 CE2 PHE A 59 6.959 -14.482 9.665 1.00 0.00 C ATOM 869 CZ PHE A 59 7.488 -15.719 9.867 1.00 0.00 C ATOM 0 H PHE A 59 11.126 -10.307 11.504 1.00 0.00 H new ATOM 0 HA PHE A 59 11.624 -12.570 10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.113 -12.378 12.049 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.003 -11.371 11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.412 -14.796 11.294 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.264 -12.345 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.133 -16.831 10.604 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.987 -14.379 9.206 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.935 -16.598 9.569 1.00 0.00 H new TER 879 PHE A 59