USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 485 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 20 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.4!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.1: A 8 ASN : amide:sc= 1.22 K(o=1.3,f=-9.8!) USER MOD Set 2.2: A 45 HIS : no HD1:sc= 0 X(o=1.3,f=1.1) USER MOD Set 2.3: A 66 HIS : no HE2:sc= 0.107 K(o=1.3,f=-1.5) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.0419 X(o=-1.3,f=-1.3) USER MOD Set 3.2: A 30 HIS : no HE2:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 5 THR OG1 : rot 27:sc= 0.816 USER MOD Single : A 6 TYR OH : rot 97:sc= 1.48 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 12 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.86) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= 1.21 (180deg=0.879) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.08) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0557) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.07) USER MOD Single : A 43 SER OG : rot 180:sc= 0.072 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.11) USER MOD Single : A 49 CYS SG : rot 180:sc=0.000754 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.903) USER MOD Single : A 51 THR OG1 : rot -88:sc= 0.51 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 1.14 (180deg=-1.51!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.17) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.649 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= 1.27 (180deg=-0.5) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 8.018 2.688 -10.055 1.00 0.00 N ATOM 14 CA ASP A 2 8.033 1.334 -10.587 1.00 0.00 C ATOM 15 C ASP A 2 7.536 0.399 -9.489 1.00 0.00 C ATOM 16 O ASP A 2 6.368 0.015 -9.521 1.00 0.00 O ATOM 17 CB ASP A 2 9.437 0.961 -11.094 1.00 0.00 C ATOM 18 CG ASP A 2 10.544 1.668 -10.326 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.410 1.754 -9.084 1.00 0.00 O ATOM 20 OD2 ASP A 2 11.304 2.436 -10.955 1.00 0.00 O ATOM 0 HA ASP A 2 7.374 1.248 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.574 -0.117 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.516 1.213 -12.152 1.00 0.00 H new ATOM 25 N VAL A 3 8.371 0.087 -8.494 1.00 0.00 N ATOM 26 CA VAL A 3 8.069 -0.864 -7.426 1.00 0.00 C ATOM 27 C VAL A 3 8.914 -0.554 -6.191 1.00 0.00 C ATOM 28 O VAL A 3 10.043 -0.086 -6.322 1.00 0.00 O ATOM 29 CB VAL A 3 8.248 -2.307 -7.942 1.00 0.00 C ATOM 30 CG1 VAL A 3 9.675 -2.585 -8.432 1.00 0.00 C ATOM 31 CG2 VAL A 3 7.861 -3.353 -6.889 1.00 0.00 C ATOM 0 H VAL A 3 9.299 0.501 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 3 7.027 -0.767 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 3 7.569 -2.394 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.745 -3.614 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.918 -1.905 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.377 -2.433 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.004 -4.353 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.488 -3.230 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.815 -3.221 -6.612 1.00 0.00 H new ATOM 41 N VAL A 4 8.368 -0.796 -4.995 1.00 0.00 N ATOM 42 CA VAL A 4 9.081 -0.700 -3.733 1.00 0.00 C ATOM 43 C VAL A 4 8.845 -2.012 -2.994 1.00 0.00 C ATOM 44 O VAL A 4 7.923 -2.766 -3.320 1.00 0.00 O ATOM 45 CB VAL A 4 8.574 0.515 -2.934 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.181 0.600 -1.524 1.00 0.00 C ATOM 47 CG2 VAL A 4 8.909 1.816 -3.667 1.00 0.00 C ATOM 0 H VAL A 4 7.392 -1.071 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 4 10.150 -0.549 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 4 7.496 0.382 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.786 1.476 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.923 -0.298 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.265 0.682 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.543 2.664 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.989 1.898 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.433 1.814 -4.648 1.00 0.00 H new ATOM 57 N THR A 5 9.660 -2.275 -1.974 1.00 0.00 N ATOM 58 CA THR A 5 9.241 -3.118 -0.884 1.00 0.00 C ATOM 59 C THR A 5 9.634 -2.464 0.432 1.00 0.00 C ATOM 60 O THR A 5 10.647 -1.768 0.492 1.00 0.00 O ATOM 61 CB THR A 5 9.830 -4.527 -1.043 1.00 0.00 C ATOM 62 OG1 THR A 5 9.343 -5.343 -0.005 1.00 0.00 O ATOM 63 CG2 THR A 5 11.361 -4.558 -1.012 1.00 0.00 C ATOM 0 H THR A 5 10.610 -1.912 -1.890 1.00 0.00 H new ATOM 0 HA THR A 5 8.157 -3.231 -0.890 1.00 0.00 H new ATOM 0 HB THR A 5 9.523 -4.889 -2.024 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.477 -5.002 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.707 -5.585 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.754 -3.947 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.714 -4.164 -0.059 1.00 0.00 H new ATOM 71 N TYR A 6 8.809 -2.669 1.460 1.00 0.00 N ATOM 72 CA TYR A 6 9.130 -2.211 2.804 1.00 0.00 C ATOM 73 C TYR A 6 10.173 -3.119 3.446 1.00 0.00 C ATOM 74 O TYR A 6 11.129 -2.621 4.035 1.00 0.00 O ATOM 75 CB TYR A 6 7.882 -2.127 3.680 1.00 0.00 C ATOM 76 CG TYR A 6 6.879 -1.083 3.239 1.00 0.00 C ATOM 77 CD1 TYR A 6 7.220 0.282 3.230 1.00 0.00 C ATOM 78 CD2 TYR A 6 5.637 -1.494 2.740 1.00 0.00 C ATOM 79 CE1 TYR A 6 6.332 1.221 2.681 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.725 -0.553 2.247 1.00 0.00 C ATOM 81 CZ TYR A 6 5.072 0.804 2.220 1.00 0.00 C ATOM 82 OH TYR A 6 4.295 1.665 1.512 1.00 0.00 O ATOM 0 H TYR A 6 7.913 -3.150 1.383 1.00 0.00 H new ATOM 0 HA TYR A 6 9.545 -1.207 2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.394 -3.101 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.186 -1.912 4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.163 0.607 3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.381 -2.543 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.617 2.261 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.757 -0.872 1.889 1.00 0.00 H new ATOM 0 HH TYR A 6 4.407 1.494 0.554 1.00 0.00 H new ATOM 92 N GLU A 7 9.963 -4.438 3.323 1.00 0.00 N ATOM 93 CA GLU A 7 10.662 -5.486 4.065 1.00 0.00 C ATOM 94 C GLU A 7 10.136 -5.510 5.505 1.00 0.00 C ATOM 95 O GLU A 7 9.786 -4.472 6.062 1.00 0.00 O ATOM 96 CB GLU A 7 12.178 -5.298 3.982 1.00 0.00 C ATOM 97 CG GLU A 7 13.080 -6.527 4.166 1.00 0.00 C ATOM 98 CD GLU A 7 13.050 -7.120 5.567 1.00 0.00 C ATOM 99 OE1 GLU A 7 13.632 -6.494 6.476 1.00 0.00 O ATOM 100 OE2 GLU A 7 12.436 -8.199 5.704 1.00 0.00 O ATOM 0 H GLU A 7 9.271 -4.815 2.675 1.00 0.00 H new ATOM 0 HA GLU A 7 10.461 -6.460 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.405 -4.863 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.462 -4.562 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.779 -7.294 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.106 -6.250 3.923 1.00 0.00 H new ATOM 107 N ASN A 8 10.038 -6.706 6.082 1.00 0.00 N ATOM 108 CA ASN A 8 9.458 -6.965 7.396 1.00 0.00 C ATOM 109 C ASN A 8 9.547 -8.459 7.689 1.00 0.00 C ATOM 110 O ASN A 8 9.803 -9.255 6.785 1.00 0.00 O ATOM 111 CB ASN A 8 7.996 -6.515 7.468 1.00 0.00 C ATOM 112 CG ASN A 8 7.114 -7.375 6.571 1.00 0.00 C ATOM 113 OD1 ASN A 8 6.755 -8.493 6.940 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.798 -6.911 5.370 1.00 0.00 N ATOM 0 H ASN A 8 10.375 -7.555 5.627 1.00 0.00 H new ATOM 0 HA ASN A 8 10.018 -6.395 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.643 -6.577 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.918 -5.470 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.247 -7.484 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.106 -5.981 5.085 1.00 0.00 H new ATOM 121 N LYS A 9 9.294 -8.856 8.943 1.00 0.00 N ATOM 122 CA LYS A 9 9.570 -10.208 9.404 1.00 0.00 C ATOM 123 C LYS A 9 8.360 -11.128 9.212 1.00 0.00 C ATOM 124 O LYS A 9 8.465 -12.333 9.438 1.00 0.00 O ATOM 125 CB LYS A 9 10.044 -10.134 10.867 1.00 0.00 C ATOM 126 CG LYS A 9 10.638 -11.435 11.436 1.00 0.00 C ATOM 127 CD LYS A 9 11.790 -12.032 10.610 1.00 0.00 C ATOM 128 CE LYS A 9 12.934 -11.025 10.396 1.00 0.00 C ATOM 129 NZ LYS A 9 14.048 -11.597 9.611 1.00 0.00 N ATOM 0 H LYS A 9 8.894 -8.247 9.657 1.00 0.00 H new ATOM 0 HA LYS A 9 10.363 -10.653 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.793 -9.346 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.200 -9.837 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.996 -11.243 12.447 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.843 -12.177 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.177 -12.917 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.410 -12.359 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.548 -10.143 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.308 -10.693 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.793 -10.881 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.436 -12.423 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.699 -11.890 8.676 1.00 0.00 H new ATOM 143 N LYS A 10 7.199 -10.593 8.822 1.00 0.00 N ATOM 144 CA LYS A 10 6.052 -11.422 8.479 1.00 0.00 C ATOM 145 C LYS A 10 6.289 -12.052 7.109 1.00 0.00 C ATOM 146 O LYS A 10 6.123 -13.261 6.948 1.00 0.00 O ATOM 147 CB LYS A 10 4.756 -10.599 8.465 1.00 0.00 C ATOM 148 CG LYS A 10 4.568 -9.618 9.628 1.00 0.00 C ATOM 149 CD LYS A 10 4.271 -10.282 10.983 1.00 0.00 C ATOM 150 CE LYS A 10 5.444 -10.904 11.763 1.00 0.00 C ATOM 151 NZ LYS A 10 6.527 -9.949 12.072 1.00 0.00 N ATOM 0 H LYS A 10 7.034 -9.590 8.738 1.00 0.00 H new ATOM 0 HA LYS A 10 5.941 -12.201 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.717 -10.037 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.912 -11.288 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.469 -9.012 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.752 -8.938 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.804 -9.535 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.531 -11.065 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.066 -11.324 12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.855 -11.731 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.257 -10.424 12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.948 -9.604 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.139 -9.146 12.607 1.00 0.00 H new ATOM 165 N GLY A 11 6.643 -11.197 6.155 1.00 0.00 N ATOM 166 CA GLY A 11 6.744 -11.447 4.734 1.00 0.00 C ATOM 167 C GLY A 11 6.852 -10.068 4.091 1.00 0.00 C ATOM 168 O GLY A 11 5.944 -9.250 4.267 1.00 0.00 O ATOM 0 H GLY A 11 6.885 -10.233 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.616 -12.058 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.871 -11.986 4.366 1.00 0.00 H new ATOM 172 N ASN A 12 7.988 -9.787 3.442 1.00 0.00 N ATOM 173 CA ASN A 12 8.324 -8.515 2.794 1.00 0.00 C ATOM 174 C ASN A 12 7.135 -8.053 1.960 1.00 0.00 C ATOM 175 O ASN A 12 6.710 -8.743 1.035 1.00 0.00 O ATOM 176 CB ASN A 12 9.522 -8.708 1.863 1.00 0.00 C ATOM 177 CG ASN A 12 10.831 -9.019 2.585 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.874 -9.124 1.949 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.793 -9.140 3.911 1.00 0.00 N ATOM 0 H ASN A 12 8.735 -10.476 3.350 1.00 0.00 H new ATOM 0 HA ASN A 12 8.566 -7.776 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.301 -9.519 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.654 -7.805 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.651 -9.326 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.906 -9.046 4.406 1.00 0.00 H new ATOM 186 N VAL A 13 6.602 -6.882 2.291 1.00 0.00 N ATOM 187 CA VAL A 13 5.525 -6.283 1.528 1.00 0.00 C ATOM 188 C VAL A 13 6.159 -5.605 0.325 1.00 0.00 C ATOM 189 O VAL A 13 6.754 -4.531 0.464 1.00 0.00 O ATOM 190 CB VAL A 13 4.734 -5.296 2.391 1.00 0.00 C ATOM 191 CG1 VAL A 13 3.806 -4.437 1.524 1.00 0.00 C ATOM 192 CG2 VAL A 13 3.899 -6.040 3.433 1.00 0.00 C ATOM 0 H VAL A 13 6.906 -6.328 3.092 1.00 0.00 H new ATOM 0 HA VAL A 13 4.810 -7.036 1.197 1.00 0.00 H new ATOM 0 HB VAL A 13 5.452 -4.650 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.254 -3.743 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.399 -3.875 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.104 -5.081 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.345 -5.321 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.199 -6.707 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.557 -6.623 4.078 1.00 0.00 H new ATOM 202 N THR A 14 6.056 -6.242 -0.840 1.00 0.00 N ATOM 203 CA THR A 14 6.318 -5.601 -2.117 1.00 0.00 C ATOM 204 C THR A 14 5.072 -4.810 -2.515 1.00 0.00 C ATOM 205 O THR A 14 3.959 -5.172 -2.132 1.00 0.00 O ATOM 206 CB THR A 14 6.735 -6.649 -3.163 1.00 0.00 C ATOM 207 OG1 THR A 14 7.156 -6.008 -4.351 1.00 0.00 O ATOM 208 CG2 THR A 14 5.620 -7.645 -3.508 1.00 0.00 C ATOM 0 H THR A 14 5.787 -7.223 -0.920 1.00 0.00 H new ATOM 0 HA THR A 14 7.153 -4.904 -2.046 1.00 0.00 H new ATOM 0 HB THR A 14 7.551 -7.215 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.421 -6.683 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.983 -8.355 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.321 -8.183 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.762 -7.106 -3.910 1.00 0.00 H new ATOM 216 N PHE A 15 5.248 -3.708 -3.247 1.00 0.00 N ATOM 217 CA PHE A 15 4.137 -2.941 -3.774 1.00 0.00 C ATOM 218 C PHE A 15 4.581 -2.174 -5.016 1.00 0.00 C ATOM 219 O PHE A 15 5.516 -1.370 -4.975 1.00 0.00 O ATOM 220 CB PHE A 15 3.526 -2.030 -2.700 1.00 0.00 C ATOM 221 CG PHE A 15 4.447 -0.996 -2.091 1.00 0.00 C ATOM 222 CD1 PHE A 15 5.394 -1.390 -1.130 1.00 0.00 C ATOM 223 CD2 PHE A 15 4.280 0.368 -2.400 1.00 0.00 C ATOM 224 CE1 PHE A 15 6.181 -0.426 -0.490 1.00 0.00 C ATOM 225 CE2 PHE A 15 5.043 1.336 -1.728 1.00 0.00 C ATOM 226 CZ PHE A 15 5.991 0.935 -0.773 1.00 0.00 C ATOM 0 H PHE A 15 6.165 -3.330 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 15 3.342 -3.624 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.672 -1.512 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.141 -2.659 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.514 -2.435 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.566 0.669 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.935 -0.730 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.901 2.385 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.577 1.678 -0.253 1.00 0.00 H new ATOM 236 N ASP A 16 3.912 -2.454 -6.131 1.00 0.00 N ATOM 237 CA ASP A 16 4.088 -1.765 -7.392 1.00 0.00 C ATOM 238 C ASP A 16 3.717 -0.296 -7.222 1.00 0.00 C ATOM 239 O ASP A 16 2.579 0.031 -6.899 1.00 0.00 O ATOM 240 CB ASP A 16 3.193 -2.410 -8.445 1.00 0.00 C ATOM 241 CG ASP A 16 3.533 -3.870 -8.670 1.00 0.00 C ATOM 242 OD1 ASP A 16 3.330 -4.632 -7.699 1.00 0.00 O ATOM 243 OD2 ASP A 16 3.990 -4.181 -9.791 1.00 0.00 O ATOM 0 H ASP A 16 3.210 -3.193 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 16 5.128 -1.836 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.151 -2.325 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.291 -1.867 -9.385 1.00 0.00 H new ATOM 248 N HIS A 17 4.670 0.591 -7.473 1.00 0.00 N ATOM 249 CA HIS A 17 4.479 2.025 -7.429 1.00 0.00 C ATOM 250 C HIS A 17 3.720 2.412 -8.693 1.00 0.00 C ATOM 251 O HIS A 17 2.629 2.980 -8.648 1.00 0.00 O ATOM 252 CB HIS A 17 5.866 2.687 -7.394 1.00 0.00 C ATOM 253 CG HIS A 17 5.981 3.887 -6.507 1.00 0.00 C ATOM 254 ND1 HIS A 17 7.075 4.181 -5.733 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.042 4.865 -6.307 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.792 5.306 -5.066 1.00 0.00 C ATOM 257 NE2 HIS A 17 5.563 5.757 -5.367 1.00 0.00 N ATOM 0 H HIS A 17 5.622 0.320 -7.719 1.00 0.00 H new ATOM 0 HA HIS A 17 3.917 2.346 -6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.596 1.945 -7.070 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.137 2.979 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.077 4.933 -6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.466 5.790 -4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.103 6.584 -4.986 1.00 0.00 H new ATOM 265 N LYS A 18 4.327 2.069 -9.833 1.00 0.00 N ATOM 266 CA LYS A 18 3.847 2.413 -11.150 1.00 0.00 C ATOM 267 C LYS A 18 2.435 1.879 -11.323 1.00 0.00 C ATOM 268 O LYS A 18 1.529 2.664 -11.548 1.00 0.00 O ATOM 269 CB LYS A 18 4.833 1.900 -12.203 1.00 0.00 C ATOM 270 CG LYS A 18 4.297 2.036 -13.632 1.00 0.00 C ATOM 271 CD LYS A 18 5.493 1.959 -14.588 1.00 0.00 C ATOM 272 CE LYS A 18 5.084 1.778 -16.059 1.00 0.00 C ATOM 273 NZ LYS A 18 4.020 2.710 -16.484 1.00 0.00 N ATOM 0 H LYS A 18 5.191 1.528 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 18 3.792 3.494 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.769 2.451 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.060 0.853 -12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.582 1.242 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.770 2.982 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.085 2.869 -14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.134 1.129 -14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.959 1.921 -16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.744 0.754 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.247 3.090 -17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.112 2.205 -16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.951 3.493 -15.803 1.00 0.00 H new ATOM 287 N ALA A 19 2.234 0.569 -11.193 1.00 0.00 N ATOM 288 CA ALA A 19 0.912 -0.041 -11.318 1.00 0.00 C ATOM 289 C ALA A 19 -0.174 0.760 -10.594 1.00 0.00 C ATOM 290 O ALA A 19 -1.125 1.220 -11.220 1.00 0.00 O ATOM 291 CB ALA A 19 0.935 -1.441 -10.732 1.00 0.00 C ATOM 0 H ALA A 19 2.981 -0.098 -10.999 1.00 0.00 H new ATOM 0 HA ALA A 19 0.675 -0.061 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.053 -1.892 -10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.664 -2.048 -11.268 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.210 -1.390 -9.679 1.00 0.00 H new ATOM 297 N HIS A 20 -0.028 0.936 -9.277 1.00 0.00 N ATOM 298 CA HIS A 20 -0.998 1.690 -8.500 1.00 0.00 C ATOM 299 C HIS A 20 -1.130 3.085 -9.124 1.00 0.00 C ATOM 300 O HIS A 20 -2.230 3.604 -9.290 1.00 0.00 O ATOM 301 CB HIS A 20 -0.554 1.765 -7.025 1.00 0.00 C ATOM 302 CG HIS A 20 -0.799 0.518 -6.194 1.00 0.00 C ATOM 303 ND1 HIS A 20 0.060 -0.548 -6.082 1.00 0.00 N ATOM 304 CD2 HIS A 20 -1.820 0.298 -5.301 1.00 0.00 C ATOM 305 CE1 HIS A 20 -0.453 -1.395 -5.176 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.608 -0.934 -4.668 1.00 0.00 N ATOM 0 H HIS A 20 0.752 0.565 -8.734 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.971 1.198 -8.517 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.512 1.993 -6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.071 2.600 -6.552 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.932 -0.674 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.649 0.965 -5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.006 -2.330 -4.891 1.00 0.00 H new ATOM 314 N ALA A 21 -0.008 3.685 -9.518 1.00 0.00 N ATOM 315 CA ALA A 21 -0.016 5.017 -10.113 1.00 0.00 C ATOM 316 C ALA A 21 -0.876 5.078 -11.387 1.00 0.00 C ATOM 317 O ALA A 21 -1.802 5.868 -11.462 1.00 0.00 O ATOM 318 CB ALA A 21 1.413 5.523 -10.340 1.00 0.00 C ATOM 0 H ALA A 21 0.919 3.268 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.489 5.696 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.380 6.518 -10.784 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.939 5.569 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.938 4.843 -11.011 1.00 0.00 H new ATOM 324 N GLU A 22 -0.614 4.243 -12.388 1.00 0.00 N ATOM 325 CA GLU A 22 -1.353 4.256 -13.655 1.00 0.00 C ATOM 326 C GLU A 22 -2.806 3.868 -13.416 1.00 0.00 C ATOM 327 O GLU A 22 -3.715 4.523 -13.921 1.00 0.00 O ATOM 328 CB GLU A 22 -0.743 3.346 -14.746 1.00 0.00 C ATOM 329 CG GLU A 22 0.230 2.300 -14.206 1.00 0.00 C ATOM 330 CD GLU A 22 0.728 1.327 -15.256 1.00 0.00 C ATOM 331 OE1 GLU A 22 1.688 1.710 -15.960 1.00 0.00 O ATOM 332 OE2 GLU A 22 0.182 0.201 -15.296 1.00 0.00 O ATOM 0 H GLU A 22 0.118 3.534 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.286 5.276 -14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.550 2.839 -15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.225 3.968 -15.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.085 2.809 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.259 1.740 -13.408 1.00 0.00 H new ATOM 339 N LYS A 23 -3.018 2.768 -12.694 1.00 0.00 N ATOM 340 CA LYS A 23 -4.363 2.259 -12.486 1.00 0.00 C ATOM 341 C LYS A 23 -5.224 3.277 -11.737 1.00 0.00 C ATOM 342 O LYS A 23 -6.402 3.430 -12.052 1.00 0.00 O ATOM 343 CB LYS A 23 -4.358 0.905 -11.763 1.00 0.00 C ATOM 344 CG LYS A 23 -4.132 -0.275 -12.719 1.00 0.00 C ATOM 345 CD LYS A 23 -2.665 -0.492 -13.087 1.00 0.00 C ATOM 346 CE LYS A 23 -2.504 -1.630 -14.099 1.00 0.00 C ATOM 347 NZ LYS A 23 -1.079 -1.922 -14.339 1.00 0.00 N ATOM 0 H LYS A 23 -2.281 2.221 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.803 2.098 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.577 0.906 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.307 0.771 -11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.521 -1.184 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.706 -0.108 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.253 0.427 -13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.093 -0.719 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.006 -2.524 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.987 -1.359 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.979 -2.460 -15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.550 -1.030 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.701 -2.482 -13.548 1.00 0.00 H new ATOM 361 N LEU A 24 -4.655 3.932 -10.721 1.00 0.00 N ATOM 362 CA LEU A 24 -5.412 4.761 -9.795 1.00 0.00 C ATOM 363 C LEU A 24 -5.263 6.239 -10.159 1.00 0.00 C ATOM 364 O LEU A 24 -6.267 6.926 -10.323 1.00 0.00 O ATOM 365 CB LEU A 24 -4.977 4.463 -8.355 1.00 0.00 C ATOM 366 CG LEU A 24 -4.910 2.953 -8.051 1.00 0.00 C ATOM 367 CD1 LEU A 24 -4.130 2.704 -6.764 1.00 0.00 C ATOM 368 CD2 LEU A 24 -6.304 2.339 -7.947 1.00 0.00 C ATOM 0 H LEU A 24 -3.655 3.899 -10.522 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.473 4.523 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.998 4.909 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.674 4.937 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.393 2.472 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.092 1.633 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.116 3.089 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.624 3.211 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.217 1.274 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.858 2.827 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.834 2.477 -8.890 1.00 0.00 H new ATOM 380 N GLY A 25 -4.025 6.723 -10.309 1.00 0.00 N ATOM 381 CA GLY A 25 -3.731 8.081 -10.729 1.00 0.00 C ATOM 382 C GLY A 25 -2.428 8.520 -10.072 1.00 0.00 C ATOM 383 O GLY A 25 -1.366 8.484 -10.691 1.00 0.00 O ATOM 0 H GLY A 25 -3.189 6.164 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.643 8.131 -11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.543 8.750 -10.444 1.00 0.00 H new ATOM 387 N CYS A 26 -2.522 8.924 -8.806 1.00 0.00 N ATOM 388 CA CYS A 26 -1.416 9.412 -7.968 1.00 0.00 C ATOM 389 C CYS A 26 -2.008 9.882 -6.640 1.00 0.00 C ATOM 390 O CYS A 26 -1.591 9.463 -5.558 1.00 0.00 O ATOM 391 CB CYS A 26 -0.656 10.557 -8.623 1.00 0.00 C ATOM 392 SG CYS A 26 1.057 10.616 -8.036 1.00 0.00 S ATOM 0 H CYS A 26 -3.412 8.922 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.703 8.601 -7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.669 10.435 -9.706 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.153 11.502 -8.402 1.00 0.00 H new ATOM 0 HG CYS A 26 1.680 11.600 -8.613 1.00 0.00 H new ATOM 397 N ASP A 27 -3.055 10.696 -6.799 1.00 0.00 N ATOM 398 CA ASP A 27 -4.071 11.106 -5.844 1.00 0.00 C ATOM 399 C ASP A 27 -4.323 10.025 -4.799 1.00 0.00 C ATOM 400 O ASP A 27 -4.355 10.302 -3.603 1.00 0.00 O ATOM 401 CB ASP A 27 -5.358 11.400 -6.640 1.00 0.00 C ATOM 402 CG ASP A 27 -5.883 10.216 -7.461 1.00 0.00 C ATOM 403 OD1 ASP A 27 -5.041 9.374 -7.869 1.00 0.00 O ATOM 404 OD2 ASP A 27 -7.113 10.168 -7.653 1.00 0.00 O ATOM 0 H ASP A 27 -3.224 11.129 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.738 11.992 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.136 11.717 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.171 12.237 -7.312 1.00 0.00 H new ATOM 409 N ALA A 28 -4.470 8.792 -5.288 1.00 0.00 N ATOM 410 CA ALA A 28 -4.556 7.555 -4.541 1.00 0.00 C ATOM 411 C ALA A 28 -3.761 7.582 -3.235 1.00 0.00 C ATOM 412 O ALA A 28 -4.273 7.166 -2.197 1.00 0.00 O ATOM 413 CB ALA A 28 -4.051 6.433 -5.447 1.00 0.00 C ATOM 0 H ALA A 28 -4.536 8.630 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.595 7.398 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.102 5.484 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.672 6.381 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.018 6.633 -5.733 1.00 0.00 H new ATOM 419 N CYS A 29 -2.504 8.030 -3.310 1.00 0.00 N ATOM 420 CA CYS A 29 -1.564 8.008 -2.193 1.00 0.00 C ATOM 421 C CYS A 29 -0.874 9.360 -1.964 1.00 0.00 C ATOM 422 O CYS A 29 -0.388 9.601 -0.861 1.00 0.00 O ATOM 423 CB CYS A 29 -0.541 6.933 -2.433 1.00 0.00 C ATOM 424 SG CYS A 29 -1.329 5.329 -2.817 1.00 0.00 S ATOM 0 H CYS A 29 -2.108 8.424 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.132 7.797 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.109 7.226 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.090 6.827 -1.551 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.410 4.432 -3.019 1.00 0.00 H new ATOM 429 N HIS A 30 -0.780 10.227 -2.981 1.00 0.00 N ATOM 430 CA HIS A 30 -0.063 11.491 -2.906 1.00 0.00 C ATOM 431 C HIS A 30 -0.886 12.594 -3.564 1.00 0.00 C ATOM 432 O HIS A 30 -1.158 12.511 -4.760 1.00 0.00 O ATOM 433 CB HIS A 30 1.252 11.396 -3.687 1.00 0.00 C ATOM 434 CG HIS A 30 2.183 10.292 -3.281 1.00 0.00 C ATOM 435 ND1 HIS A 30 3.160 10.378 -2.320 1.00 0.00 N ATOM 436 CD2 HIS A 30 2.500 9.241 -4.085 1.00 0.00 C ATOM 437 CE1 HIS A 30 4.046 9.383 -2.556 1.00 0.00 C ATOM 438 NE2 HIS A 30 3.684 8.675 -3.632 1.00 0.00 N ATOM 0 H HIS A 30 -1.210 10.060 -3.891 1.00 0.00 H new ATOM 0 HA HIS A 30 0.121 11.711 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.015 11.274 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.780 12.344 -3.586 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.209 11.065 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.926 8.903 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.924 9.187 -1.958 1.00 0.00 H new ATOM 446 N GLU A 31 -1.191 13.659 -2.826 1.00 0.00 N ATOM 447 CA GLU A 31 -1.751 14.891 -3.359 1.00 0.00 C ATOM 448 C GLU A 31 -0.720 16.008 -3.190 1.00 0.00 C ATOM 449 O GLU A 31 -0.200 16.552 -4.165 1.00 0.00 O ATOM 450 CB GLU A 31 -3.100 15.236 -2.724 1.00 0.00 C ATOM 451 CG GLU A 31 -3.496 14.343 -1.553 1.00 0.00 C ATOM 452 CD GLU A 31 -2.723 14.672 -0.283 1.00 0.00 C ATOM 453 OE1 GLU A 31 -1.486 14.469 -0.316 1.00 0.00 O ATOM 454 OE2 GLU A 31 -3.359 15.173 0.666 1.00 0.00 O ATOM 0 H GLU A 31 -1.051 13.686 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.962 14.762 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.072 16.271 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.874 15.174 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.564 14.450 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.323 13.301 -1.820 1.00 0.00 H new ATOM 461 N GLY A 32 -0.404 16.341 -1.938 1.00 0.00 N ATOM 462 CA GLY A 32 0.418 17.482 -1.573 1.00 0.00 C ATOM 463 C GLY A 32 1.908 17.182 -1.711 1.00 0.00 C ATOM 464 O GLY A 32 2.653 17.347 -0.750 1.00 0.00 O ATOM 0 H GLY A 32 -0.725 15.806 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.159 18.332 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.200 17.771 -0.545 1.00 0.00 H new ATOM 468 N THR A 33 2.328 16.778 -2.915 1.00 0.00 N ATOM 469 CA THR A 33 3.718 16.553 -3.306 1.00 0.00 C ATOM 470 C THR A 33 4.285 15.260 -2.694 1.00 0.00 C ATOM 471 O THR A 33 4.390 15.152 -1.474 1.00 0.00 O ATOM 472 CB THR A 33 4.595 17.771 -2.961 1.00 0.00 C ATOM 473 OG1 THR A 33 3.963 18.950 -3.420 1.00 0.00 O ATOM 474 CG2 THR A 33 5.973 17.677 -3.623 1.00 0.00 C ATOM 0 H THR A 33 1.675 16.591 -3.676 1.00 0.00 H new ATOM 0 HA THR A 33 3.734 16.426 -4.388 1.00 0.00 H new ATOM 0 HB THR A 33 4.724 17.792 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.519 19.726 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.565 18.553 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.482 16.777 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.854 17.634 -4.706 1.00 0.00 H new ATOM 482 N PRO A 34 4.691 14.267 -3.501 1.00 0.00 N ATOM 483 CA PRO A 34 5.354 13.088 -2.976 1.00 0.00 C ATOM 484 C PRO A 34 6.747 13.445 -2.458 1.00 0.00 C ATOM 485 O PRO A 34 7.527 14.075 -3.169 1.00 0.00 O ATOM 486 CB PRO A 34 5.453 12.109 -4.134 1.00 0.00 C ATOM 487 CG PRO A 34 5.454 13.001 -5.369 1.00 0.00 C ATOM 488 CD PRO A 34 4.633 14.223 -4.953 1.00 0.00 C ATOM 0 HA PRO A 34 4.801 12.660 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.361 11.509 -4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.613 11.415 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.467 13.282 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.008 12.495 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.042 15.135 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.603 14.138 -5.300 1.00 0.00 H new ATOM 496 N ALA A 35 7.072 13.009 -1.239 1.00 0.00 N ATOM 497 CA ALA A 35 8.388 13.187 -0.645 1.00 0.00 C ATOM 498 C ALA A 35 8.564 12.127 0.441 1.00 0.00 C ATOM 499 O ALA A 35 8.668 12.462 1.618 1.00 0.00 O ATOM 500 CB ALA A 35 8.520 14.613 -0.095 1.00 0.00 C ATOM 0 H ALA A 35 6.416 12.516 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 35 9.177 13.060 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.507 14.742 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.391 15.329 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.756 14.782 0.664 1.00 0.00 H new ATOM 506 N LYS A 36 8.558 10.853 0.022 1.00 0.00 N ATOM 507 CA LYS A 36 8.500 9.677 0.891 1.00 0.00 C ATOM 508 C LYS A 36 7.154 9.583 1.621 1.00 0.00 C ATOM 509 O LYS A 36 6.391 10.547 1.647 1.00 0.00 O ATOM 510 CB LYS A 36 9.690 9.611 1.870 1.00 0.00 C ATOM 511 CG LYS A 36 10.994 9.235 1.152 1.00 0.00 C ATOM 512 CD LYS A 36 11.191 7.714 1.181 1.00 0.00 C ATOM 513 CE LYS A 36 11.729 7.268 2.551 1.00 0.00 C ATOM 514 NZ LYS A 36 11.283 5.911 2.917 1.00 0.00 N ATOM 0 H LYS A 36 8.595 10.609 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 36 8.583 8.803 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.811 10.576 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.480 8.879 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.965 9.586 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.839 9.728 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.244 7.215 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.886 7.416 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.819 7.298 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.400 7.973 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.672 5.657 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.244 5.886 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.618 5.231 2.205 1.00 0.00 H new ATOM 528 N ILE A 37 6.857 8.407 2.191 1.00 0.00 N ATOM 529 CA ILE A 37 5.734 8.243 3.126 1.00 0.00 C ATOM 530 C ILE A 37 6.149 7.380 4.309 1.00 0.00 C ATOM 531 O ILE A 37 5.923 7.741 5.461 1.00 0.00 O ATOM 532 CB ILE A 37 4.456 7.670 2.471 1.00 0.00 C ATOM 533 CG1 ILE A 37 4.213 8.248 1.072 1.00 0.00 C ATOM 534 CG2 ILE A 37 3.254 7.939 3.391 1.00 0.00 C ATOM 535 CD1 ILE A 37 2.841 7.893 0.484 1.00 0.00 C ATOM 0 H ILE A 37 7.382 7.550 2.020 1.00 0.00 H new ATOM 0 HA ILE A 37 5.479 9.246 3.469 1.00 0.00 H new ATOM 0 HB ILE A 37 4.589 6.596 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.309 9.333 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.991 7.886 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.349 7.537 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.419 7.458 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.141 9.013 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.744 8.337 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.748 6.810 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.056 8.279 1.134 1.00 0.00 H new ATOM 547 N ALA A 38 6.735 6.228 3.995 1.00 0.00 N ATOM 548 CA ALA A 38 7.154 5.203 4.941 1.00 0.00 C ATOM 549 C ALA A 38 5.929 4.639 5.649 1.00 0.00 C ATOM 550 O ALA A 38 5.725 4.848 6.843 1.00 0.00 O ATOM 551 CB ALA A 38 8.211 5.735 5.915 1.00 0.00 C ATOM 0 H ALA A 38 6.939 5.974 3.029 1.00 0.00 H new ATOM 0 HA ALA A 38 7.636 4.388 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.500 4.943 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.086 6.067 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.799 6.574 6.476 1.00 0.00 H new ATOM 557 N ILE A 39 5.092 3.930 4.889 1.00 0.00 N ATOM 558 CA ILE A 39 3.883 3.341 5.432 1.00 0.00 C ATOM 559 C ILE A 39 4.298 2.195 6.354 1.00 0.00 C ATOM 560 O ILE A 39 4.787 1.162 5.906 1.00 0.00 O ATOM 561 CB ILE A 39 2.914 2.921 4.319 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.817 4.051 3.281 1.00 0.00 C ATOM 563 CG2 ILE A 39 1.552 2.568 4.914 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.475 4.188 2.559 1.00 0.00 C ATOM 0 H ILE A 39 5.236 3.754 3.895 1.00 0.00 H new ATOM 0 HA ILE A 39 3.324 4.070 6.018 1.00 0.00 H new ATOM 0 HB ILE A 39 3.285 2.029 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.036 4.995 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.595 3.898 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.872 2.271 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.665 1.744 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.146 3.436 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.525 5.016 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.255 3.265 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.688 4.380 3.288 1.00 0.00 H new ATOM 576 N ASP A 40 4.124 2.434 7.650 1.00 0.00 N ATOM 577 CA ASP A 40 4.506 1.555 8.740 1.00 0.00 C ATOM 578 C ASP A 40 3.317 0.660 9.044 1.00 0.00 C ATOM 579 O ASP A 40 2.213 0.920 8.569 1.00 0.00 O ATOM 580 CB ASP A 40 4.871 2.406 9.967 1.00 0.00 C ATOM 581 CG ASP A 40 4.897 1.598 11.251 1.00 0.00 C ATOM 582 OD1 ASP A 40 5.643 0.601 11.286 1.00 0.00 O ATOM 583 OD2 ASP A 40 4.046 1.889 12.121 1.00 0.00 O ATOM 0 H ASP A 40 3.688 3.295 7.982 1.00 0.00 H new ATOM 0 HA ASP A 40 5.370 0.946 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.848 2.863 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.152 3.219 10.068 1.00 0.00 H new ATOM 588 N LYS A 41 3.540 -0.355 9.877 1.00 0.00 N ATOM 589 CA LYS A 41 2.499 -1.174 10.462 1.00 0.00 C ATOM 590 C LYS A 41 1.315 -0.309 10.873 1.00 0.00 C ATOM 591 O LYS A 41 0.189 -0.625 10.501 1.00 0.00 O ATOM 592 CB LYS A 41 3.070 -1.958 11.651 1.00 0.00 C ATOM 593 CG LYS A 41 2.081 -2.997 12.201 1.00 0.00 C ATOM 594 CD LYS A 41 1.232 -2.453 13.362 1.00 0.00 C ATOM 595 CE LYS A 41 -0.064 -3.255 13.547 1.00 0.00 C ATOM 596 NZ LYS A 41 0.182 -4.703 13.699 1.00 0.00 N ATOM 0 H LYS A 41 4.478 -0.632 10.167 1.00 0.00 H new ATOM 0 HA LYS A 41 2.138 -1.891 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.987 -2.461 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.339 -1.262 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.422 -3.326 11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.633 -3.874 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.814 -2.485 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.988 -1.407 13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.593 -2.886 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.716 -3.089 12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.698 -5.176 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.505 -5.097 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.912 -4.857 14.424 1.00 0.00 H new ATOM 610 N LYS A 42 1.565 0.764 11.638 1.00 0.00 N ATOM 611 CA LYS A 42 0.511 1.660 12.088 1.00 0.00 C ATOM 612 C LYS A 42 -0.328 2.117 10.893 1.00 0.00 C ATOM 613 O LYS A 42 -1.480 1.718 10.767 1.00 0.00 O ATOM 614 CB LYS A 42 1.099 2.845 12.872 1.00 0.00 C ATOM 615 CG LYS A 42 1.647 2.396 14.237 1.00 0.00 C ATOM 616 CD LYS A 42 2.161 3.573 15.088 1.00 0.00 C ATOM 617 CE LYS A 42 3.685 3.765 15.025 1.00 0.00 C ATOM 618 NZ LYS A 42 4.174 3.999 13.654 1.00 0.00 N ATOM 0 H LYS A 42 2.498 1.026 11.955 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.148 1.125 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.897 3.307 12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.331 3.604 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.863 1.873 14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.458 1.684 14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.675 4.490 14.755 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.867 3.415 16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.967 4.608 15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.175 2.882 15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.080 4.509 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.309 3.087 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.478 4.567 13.130 1.00 0.00 H new ATOM 632 N SER A 43 0.246 2.942 10.017 1.00 0.00 N ATOM 633 CA SER A 43 -0.433 3.520 8.870 1.00 0.00 C ATOM 634 C SER A 43 -1.104 2.444 8.002 1.00 0.00 C ATOM 635 O SER A 43 -2.302 2.502 7.734 1.00 0.00 O ATOM 636 CB SER A 43 0.609 4.328 8.087 1.00 0.00 C ATOM 637 OG SER A 43 1.455 5.009 8.999 1.00 0.00 O ATOM 0 H SER A 43 1.221 3.231 10.093 1.00 0.00 H new ATOM 0 HA SER A 43 -1.243 4.172 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.198 3.666 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.113 5.042 7.430 1.00 0.00 H new ATOM 0 HG SER A 43 2.124 5.525 8.502 1.00 0.00 H new ATOM 643 N ALA A 44 -0.312 1.461 7.574 1.00 0.00 N ATOM 644 CA ALA A 44 -0.691 0.329 6.744 1.00 0.00 C ATOM 645 C ALA A 44 -1.945 -0.368 7.253 1.00 0.00 C ATOM 646 O ALA A 44 -2.883 -0.595 6.484 1.00 0.00 O ATOM 647 CB ALA A 44 0.481 -0.648 6.718 1.00 0.00 C ATOM 0 H ALA A 44 0.678 1.438 7.818 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.922 0.690 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.223 -1.509 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.358 -0.153 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.699 -0.981 7.733 1.00 0.00 H new ATOM 653 N HIS A 45 -1.953 -0.695 8.548 1.00 0.00 N ATOM 654 CA HIS A 45 -3.077 -1.330 9.213 1.00 0.00 C ATOM 655 C HIS A 45 -4.016 -0.288 9.837 1.00 0.00 C ATOM 656 O HIS A 45 -4.683 -0.577 10.829 1.00 0.00 O ATOM 657 CB HIS A 45 -2.545 -2.360 10.221 1.00 0.00 C ATOM 658 CG HIS A 45 -2.066 -3.633 9.566 1.00 0.00 C ATOM 659 ND1 HIS A 45 -2.869 -4.729 9.397 1.00 0.00 N ATOM 660 CD2 HIS A 45 -0.834 -3.930 9.021 1.00 0.00 C ATOM 661 CE1 HIS A 45 -2.146 -5.662 8.769 1.00 0.00 C ATOM 662 NE2 HIS A 45 -0.894 -5.243 8.523 1.00 0.00 N ATOM 0 H HIS A 45 -1.162 -0.520 9.168 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.688 -1.865 8.486 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.724 -1.917 10.786 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.331 -2.600 10.937 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.022 -3.272 8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.523 -6.635 8.493 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.145 -5.767 8.070 1.00 0.00 H new ATOM 670 N LYS A 46 -4.105 0.907 9.241 1.00 0.00 N ATOM 671 CA LYS A 46 -4.985 1.976 9.694 1.00 0.00 C ATOM 672 C LYS A 46 -5.571 2.692 8.470 1.00 0.00 C ATOM 673 O LYS A 46 -6.690 2.382 8.058 1.00 0.00 O ATOM 674 CB LYS A 46 -4.198 2.868 10.667 1.00 0.00 C ATOM 675 CG LYS A 46 -4.989 4.005 11.328 1.00 0.00 C ATOM 676 CD LYS A 46 -4.405 5.343 10.865 1.00 0.00 C ATOM 677 CE LYS A 46 -4.925 6.559 11.646 1.00 0.00 C ATOM 678 NZ LYS A 46 -6.391 6.697 11.559 1.00 0.00 N ATOM 0 H LYS A 46 -3.556 1.156 8.418 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.846 1.608 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.783 2.237 11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.356 3.303 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.043 3.939 11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.932 3.923 12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.319 5.304 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.632 5.480 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.633 6.468 12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.454 7.463 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.684 7.585 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.680 6.709 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.844 5.895 12.041 1.00 0.00 H new ATOM 692 N ASP A 47 -4.808 3.610 7.872 1.00 0.00 N ATOM 693 CA ASP A 47 -5.240 4.434 6.748 1.00 0.00 C ATOM 694 C ASP A 47 -4.156 4.416 5.677 1.00 0.00 C ATOM 695 O ASP A 47 -3.489 5.418 5.429 1.00 0.00 O ATOM 696 CB ASP A 47 -5.639 5.852 7.179 1.00 0.00 C ATOM 697 CG ASP A 47 -6.986 5.857 7.886 1.00 0.00 C ATOM 698 OD1 ASP A 47 -7.998 5.603 7.203 1.00 0.00 O ATOM 699 OD2 ASP A 47 -6.983 6.113 9.111 1.00 0.00 O ATOM 0 H ASP A 47 -3.850 3.803 8.165 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.150 4.011 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.877 6.261 7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.683 6.501 6.305 1.00 0.00 H new ATOM 704 N ALA A 48 -3.997 3.256 5.039 1.00 0.00 N ATOM 705 CA ALA A 48 -3.219 3.096 3.826 1.00 0.00 C ATOM 706 C ALA A 48 -3.633 1.804 3.114 1.00 0.00 C ATOM 707 O ALA A 48 -4.537 1.819 2.277 1.00 0.00 O ATOM 708 CB ALA A 48 -1.721 3.169 4.144 1.00 0.00 C ATOM 0 H ALA A 48 -4.418 2.386 5.365 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.422 3.914 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.148 3.047 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.491 4.136 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.458 2.375 4.843 1.00 0.00 H new ATOM 714 N CYS A 49 -2.978 0.682 3.419 1.00 0.00 N ATOM 715 CA CYS A 49 -3.159 -0.536 2.638 1.00 0.00 C ATOM 716 C CYS A 49 -4.446 -1.254 3.061 1.00 0.00 C ATOM 717 O CYS A 49 -5.326 -1.491 2.229 1.00 0.00 O ATOM 718 CB CYS A 49 -1.956 -1.440 2.723 1.00 0.00 C ATOM 719 SG CYS A 49 -0.330 -0.621 2.812 1.00 0.00 S ATOM 0 H CYS A 49 -2.323 0.595 4.196 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.259 -0.255 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.067 -2.075 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.960 -2.097 1.853 1.00 0.00 H new ATOM 0 HG CYS A 49 0.606 -1.521 2.883 1.00 0.00 H new ATOM 724 N LYS A 50 -4.621 -1.564 4.358 1.00 0.00 N ATOM 725 CA LYS A 50 -5.865 -2.158 4.868 1.00 0.00 C ATOM 726 C LYS A 50 -6.940 -1.068 5.010 1.00 0.00 C ATOM 727 O LYS A 50 -7.628 -0.963 6.031 1.00 0.00 O ATOM 728 CB LYS A 50 -5.634 -2.887 6.206 1.00 0.00 C ATOM 729 CG LYS A 50 -4.682 -4.094 6.138 1.00 0.00 C ATOM 730 CD LYS A 50 -5.309 -5.386 5.568 1.00 0.00 C ATOM 731 CE LYS A 50 -6.187 -6.148 6.583 1.00 0.00 C ATOM 732 NZ LYS A 50 -6.732 -7.431 6.058 1.00 0.00 N ATOM 0 H LYS A 50 -3.911 -1.411 5.074 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.211 -2.904 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.238 -2.172 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.597 -3.225 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.821 -3.825 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.309 -4.301 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.913 -5.133 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.512 -6.045 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.599 -6.352 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.016 -5.508 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.523 -7.743 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.069 -7.292 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.985 -8.155 6.066 1.00 0.00 H new ATOM 746 N THR A 51 -7.127 -0.285 3.952 1.00 0.00 N ATOM 747 CA THR A 51 -8.012 0.862 3.901 1.00 0.00 C ATOM 748 C THR A 51 -8.658 0.855 2.524 1.00 0.00 C ATOM 749 O THR A 51 -9.862 0.631 2.426 1.00 0.00 O ATOM 750 CB THR A 51 -7.233 2.145 4.225 1.00 0.00 C ATOM 751 OG1 THR A 51 -6.359 1.876 5.308 1.00 0.00 O ATOM 752 CG2 THR A 51 -8.181 3.301 4.559 1.00 0.00 C ATOM 0 H THR A 51 -6.641 -0.445 3.069 1.00 0.00 H new ATOM 0 HA THR A 51 -8.801 0.817 4.652 1.00 0.00 H new ATOM 0 HB THR A 51 -6.656 2.451 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.825 2.043 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.599 4.195 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.831 3.496 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.788 3.036 5.425 1.00 0.00 H new ATOM 760 N CYS A 52 -7.850 0.993 1.471 1.00 0.00 N ATOM 761 CA CYS A 52 -8.331 0.854 0.109 1.00 0.00 C ATOM 762 C CYS A 52 -8.886 -0.540 -0.149 1.00 0.00 C ATOM 763 O CYS A 52 -10.043 -0.692 -0.536 1.00 0.00 O ATOM 764 CB CYS A 52 -7.209 1.079 -0.862 1.00 0.00 C ATOM 765 SG CYS A 52 -7.160 2.784 -1.444 1.00 0.00 S ATOM 0 H CYS A 52 -6.854 1.202 1.544 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.120 1.594 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.261 0.830 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.324 0.408 -1.713 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.174 2.930 -2.278 1.00 0.00 H new ATOM 770 N HIS A 53 -8.032 -1.560 -0.011 1.00 0.00 N ATOM 771 CA HIS A 53 -8.282 -2.860 -0.622 1.00 0.00 C ATOM 772 C HIS A 53 -9.584 -3.509 -0.129 1.00 0.00 C ATOM 773 O HIS A 53 -10.087 -4.418 -0.781 1.00 0.00 O ATOM 774 CB HIS A 53 -7.122 -3.817 -0.347 1.00 0.00 C ATOM 775 CG HIS A 53 -5.761 -3.532 -0.937 1.00 0.00 C ATOM 776 ND1 HIS A 53 -4.675 -4.317 -0.653 1.00 0.00 N ATOM 777 CD2 HIS A 53 -5.362 -2.598 -1.867 1.00 0.00 C ATOM 778 CE1 HIS A 53 -3.647 -3.858 -1.376 1.00 0.00 C ATOM 779 NE2 HIS A 53 -4.004 -2.816 -2.135 1.00 0.00 N ATOM 0 H HIS A 53 -7.163 -1.505 0.520 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.378 -2.677 -1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.001 -3.880 0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.426 -4.805 -0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.984 -1.835 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.652 -4.277 -1.350 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.411 -2.289 -2.776 1.00 0.00 H new ATOM 787 N LYS A 54 -10.110 -3.086 1.026 1.00 0.00 N ATOM 788 CA LYS A 54 -11.412 -3.528 1.509 1.00 0.00 C ATOM 789 C LYS A 54 -12.500 -3.216 0.477 1.00 0.00 C ATOM 790 O LYS A 54 -13.373 -4.044 0.228 1.00 0.00 O ATOM 791 CB LYS A 54 -11.713 -2.865 2.861 1.00 0.00 C ATOM 792 CG LYS A 54 -10.780 -3.418 3.950 1.00 0.00 C ATOM 793 CD LYS A 54 -10.063 -2.313 4.731 1.00 0.00 C ATOM 794 CE LYS A 54 -10.963 -1.616 5.762 1.00 0.00 C ATOM 795 NZ LYS A 54 -10.255 -0.506 6.439 1.00 0.00 N ATOM 0 H LYS A 54 -9.641 -2.428 1.648 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.397 -4.608 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.587 -1.785 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.752 -3.045 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.359 -4.030 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.039 -4.072 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.200 -2.740 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.683 -1.570 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.855 -1.232 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.298 -2.341 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.592 -0.426 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.232 -0.695 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.442 0.384 5.935 1.00 0.00 H new ATOM 809 N SER A 55 -12.435 -2.046 -0.159 1.00 0.00 N ATOM 810 CA SER A 55 -13.384 -1.642 -1.186 1.00 0.00 C ATOM 811 C SER A 55 -13.033 -2.286 -2.531 1.00 0.00 C ATOM 812 O SER A 55 -13.010 -1.603 -3.551 1.00 0.00 O ATOM 813 CB SER A 55 -13.370 -0.112 -1.283 1.00 0.00 C ATOM 814 OG SER A 55 -13.619 0.451 -0.007 1.00 0.00 O ATOM 0 H SER A 55 -11.714 -1.349 0.029 1.00 0.00 H new ATOM 0 HA SER A 55 -14.386 -1.980 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.406 0.229 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.126 0.224 -1.993 1.00 0.00 H new ATOM 0 HG SER A 55 -13.608 1.429 -0.073 1.00 0.00 H new ATOM 820 N ASN A 56 -12.745 -3.590 -2.539 1.00 0.00 N ATOM 821 CA ASN A 56 -12.328 -4.353 -3.707 1.00 0.00 C ATOM 822 C ASN A 56 -12.379 -5.832 -3.334 1.00 0.00 C ATOM 823 O ASN A 56 -12.434 -6.175 -2.155 1.00 0.00 O ATOM 824 CB ASN A 56 -10.894 -3.979 -4.131 1.00 0.00 C ATOM 825 CG ASN A 56 -10.849 -2.880 -5.187 1.00 0.00 C ATOM 826 OD1 ASN A 56 -11.374 -3.049 -6.283 1.00 0.00 O ATOM 827 ND2 ASN A 56 -10.194 -1.760 -4.891 1.00 0.00 N ATOM 0 H ASN A 56 -12.800 -4.161 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.991 -4.133 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.335 -3.654 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.393 -4.866 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.119 -1.015 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.767 -1.647 -3.972 1.00 0.00 H new ATOM 834 N ASN A 57 -12.326 -6.711 -4.336 1.00 0.00 N ATOM 835 CA ASN A 57 -11.994 -8.112 -4.106 1.00 0.00 C ATOM 836 C ASN A 57 -10.493 -8.174 -3.840 1.00 0.00 C ATOM 837 O ASN A 57 -9.724 -7.519 -4.540 1.00 0.00 O ATOM 838 CB ASN A 57 -12.365 -8.967 -5.323 1.00 0.00 C ATOM 839 CG ASN A 57 -13.864 -9.237 -5.385 1.00 0.00 C ATOM 840 OD1 ASN A 57 -14.604 -8.529 -6.059 1.00 0.00 O ATOM 841 ND2 ASN A 57 -14.331 -10.268 -4.686 1.00 0.00 N ATOM 0 H ASN A 57 -12.509 -6.475 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.554 -8.507 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.048 -8.460 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.826 -9.913 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.327 -10.486 -4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.693 -10.841 -4.134 1.00 0.00 H new ATOM 848 N GLY A 58 -10.065 -8.925 -2.824 1.00 0.00 N ATOM 849 CA GLY A 58 -8.675 -8.935 -2.408 1.00 0.00 C ATOM 850 C GLY A 58 -8.532 -9.710 -1.098 1.00 0.00 C ATOM 851 O GLY A 58 -9.403 -10.523 -0.784 1.00 0.00 O ATOM 0 H GLY A 58 -10.671 -9.535 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.058 -9.393 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.317 -7.914 -2.278 1.00 0.00 H new ATOM 855 N PRO A 59 -7.451 -9.486 -0.336 1.00 0.00 N ATOM 856 CA PRO A 59 -7.155 -10.244 0.868 1.00 0.00 C ATOM 857 C PRO A 59 -8.147 -9.911 1.975 1.00 0.00 C ATOM 858 O PRO A 59 -8.402 -8.745 2.276 1.00 0.00 O ATOM 859 CB PRO A 59 -5.731 -9.846 1.255 1.00 0.00 C ATOM 860 CG PRO A 59 -5.624 -8.413 0.728 1.00 0.00 C ATOM 861 CD PRO A 59 -6.433 -8.473 -0.567 1.00 0.00 C ATOM 0 HA PRO A 59 -7.237 -11.319 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.577 -9.893 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.990 -10.501 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.038 -7.690 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.589 -8.124 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.884 -7.507 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.800 -8.737 -1.414 1.00 0.00 H new ATOM 869 N THR A 60 -8.673 -10.954 2.607 1.00 0.00 N ATOM 870 CA THR A 60 -9.596 -10.858 3.712 1.00 0.00 C ATOM 871 C THR A 60 -8.764 -10.498 4.946 1.00 0.00 C ATOM 872 O THR A 60 -8.740 -9.360 5.424 1.00 0.00 O ATOM 873 CB THR A 60 -10.263 -12.243 3.820 1.00 0.00 C ATOM 874 OG1 THR A 60 -9.253 -13.240 3.720 1.00 0.00 O ATOM 875 CG2 THR A 60 -11.253 -12.468 2.671 1.00 0.00 C ATOM 0 H THR A 60 -8.456 -11.917 2.350 1.00 0.00 H new ATOM 0 HA THR A 60 -10.373 -10.102 3.598 1.00 0.00 H new ATOM 0 HB THR A 60 -10.794 -12.298 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.662 -14.128 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.709 -13.453 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.029 -11.703 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.725 -12.408 1.719 1.00 0.00 H new ATOM 883 N LYS A 61 -8.034 -11.500 5.427 1.00 0.00 N ATOM 884 CA LYS A 61 -7.160 -11.403 6.576 1.00 0.00 C ATOM 885 C LYS A 61 -5.767 -11.009 6.080 1.00 0.00 C ATOM 886 O LYS A 61 -5.484 -9.806 5.990 1.00 0.00 O ATOM 887 CB LYS A 61 -7.224 -12.710 7.386 1.00 0.00 C ATOM 888 CG LYS A 61 -8.653 -12.929 7.914 1.00 0.00 C ATOM 889 CD LYS A 61 -8.765 -14.211 8.749 1.00 0.00 C ATOM 890 CE LYS A 61 -10.210 -14.384 9.250 1.00 0.00 C ATOM 891 NZ LYS A 61 -10.395 -15.626 10.032 1.00 0.00 N ATOM 0 H LYS A 61 -8.040 -12.430 5.009 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.472 -10.626 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.925 -13.551 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.522 -12.667 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.951 -12.074 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.346 -12.981 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.473 -15.073 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.080 -14.165 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.482 -13.527 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.888 -14.392 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.384 -15.695 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.162 -16.448 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.769 -15.610 10.862 1.00 0.00 H new ATOM 905 N CYS A 62 -4.927 -11.995 5.745 1.00 0.00 N ATOM 906 CA CYS A 62 -3.514 -11.795 5.440 1.00 0.00 C ATOM 907 C CYS A 62 -3.135 -12.343 4.064 1.00 0.00 C ATOM 908 O CYS A 62 -3.991 -12.491 3.194 1.00 0.00 O ATOM 909 CB CYS A 62 -2.616 -12.331 6.540 1.00 0.00 C ATOM 910 SG CYS A 62 -3.251 -12.180 8.238 1.00 0.00 S ATOM 0 H CYS A 62 -5.220 -12.970 5.678 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.351 -10.718 5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.420 -13.384 6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.659 -11.812 6.484 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.386 -12.678 9.071 1.00 0.00 H new ATOM 915 N GLY A 63 -1.838 -12.582 3.839 1.00 0.00 N ATOM 916 CA GLY A 63 -1.318 -13.191 2.621 1.00 0.00 C ATOM 917 C GLY A 63 -1.138 -12.141 1.532 1.00 0.00 C ATOM 918 O GLY A 63 -0.052 -11.996 0.983 1.00 0.00 O ATOM 0 H GLY A 63 -1.110 -12.351 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.364 -13.675 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.001 -13.967 2.276 1.00 0.00 H new ATOM 922 N GLY A 64 -2.215 -11.398 1.262 1.00 0.00 N ATOM 923 CA GLY A 64 -2.325 -10.349 0.258 1.00 0.00 C ATOM 924 C GLY A 64 -1.022 -9.630 -0.078 1.00 0.00 C ATOM 925 O GLY A 64 -0.598 -9.592 -1.229 1.00 0.00 O ATOM 0 H GLY A 64 -3.087 -11.526 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.727 -10.785 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.049 -9.612 0.604 1.00 0.00 H new ATOM 929 N CYS A 65 -0.442 -8.999 0.942 1.00 0.00 N ATOM 930 CA CYS A 65 0.662 -8.063 0.799 1.00 0.00 C ATOM 931 C CYS A 65 1.942 -8.717 1.309 1.00 0.00 C ATOM 932 O CYS A 65 2.973 -8.699 0.641 1.00 0.00 O ATOM 933 CB CYS A 65 0.318 -6.807 1.560 1.00 0.00 C ATOM 934 SG CYS A 65 -1.401 -6.308 1.185 1.00 0.00 S ATOM 0 H CYS A 65 -0.736 -9.130 1.910 1.00 0.00 H new ATOM 0 HA CYS A 65 0.827 -7.796 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.432 -6.977 2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.006 -6.006 1.289 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.693 -5.227 1.845 1.00 0.00 H new ATOM 939 N HIS A 66 1.877 -9.310 2.505 1.00 0.00 N ATOM 940 CA HIS A 66 3.011 -10.012 3.073 1.00 0.00 C ATOM 941 C HIS A 66 3.201 -11.331 2.335 1.00 0.00 C ATOM 942 O HIS A 66 2.624 -12.336 2.749 1.00 0.00 O ATOM 943 CB HIS A 66 2.806 -10.289 4.569 1.00 0.00 C ATOM 944 CG HIS A 66 2.681 -9.063 5.423 1.00 0.00 C ATOM 945 ND1 HIS A 66 3.713 -8.289 5.891 1.00 0.00 N ATOM 946 CD2 HIS A 66 1.521 -8.570 5.946 1.00 0.00 C ATOM 947 CE1 HIS A 66 3.162 -7.327 6.662 1.00 0.00 C ATOM 948 NE2 HIS A 66 1.827 -7.459 6.720 1.00 0.00 N ATOM 0 H HIS A 66 1.044 -9.313 3.093 1.00 0.00 H new ATOM 0 HA HIS A 66 3.895 -9.384 2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.908 -10.894 4.693 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.644 -10.884 4.932 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.706 -8.416 5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.533 -8.975 5.785 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.722 -6.553 7.166 1.00 0.00 H new ATOM 956 N ILE A 67 4.024 -11.334 1.284 1.00 0.00 N ATOM 957 CA ILE A 67 4.462 -12.554 0.615 1.00 0.00 C ATOM 958 C ILE A 67 5.070 -13.483 1.671 1.00 0.00 C ATOM 959 O ILE A 67 6.179 -13.230 2.143 1.00 0.00 O ATOM 960 CB ILE A 67 5.471 -12.225 -0.502 1.00 0.00 C ATOM 961 CG1 ILE A 67 4.949 -11.179 -1.505 1.00 0.00 C ATOM 962 CG2 ILE A 67 5.898 -13.509 -1.232 1.00 0.00 C ATOM 963 CD1 ILE A 67 3.604 -11.535 -2.150 1.00 0.00 C ATOM 0 H ILE A 67 4.406 -10.482 0.873 1.00 0.00 H new ATOM 0 HA ILE A 67 3.617 -13.053 0.140 1.00 0.00 H new ATOM 0 HB ILE A 67 6.338 -11.777 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.851 -10.221 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.691 -11.046 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.611 -13.261 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.364 -14.193 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.022 -13.985 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.312 -10.745 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.698 -12.476 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.845 -11.638 -1.375 1.00 0.00 H new ATOM 975 N LYS A 68 4.304 -14.492 2.096 1.00 0.00 N ATOM 976 CA LYS A 68 4.652 -15.318 3.237 1.00 0.00 C ATOM 977 C LYS A 68 5.618 -16.438 2.854 1.00 0.00 C ATOM 978 O LYS A 68 6.376 -16.854 3.759 1.00 0.00 O ATOM 979 CB LYS A 68 3.367 -15.869 3.884 1.00 0.00 C ATOM 980 CG LYS A 68 3.617 -16.590 5.218 1.00 0.00 C ATOM 981 CD LYS A 68 4.364 -15.663 6.181 1.00 0.00 C ATOM 982 CE LYS A 68 4.519 -16.227 7.592 1.00 0.00 C ATOM 983 NZ LYS A 68 5.199 -15.233 8.445 1.00 0.00 N ATOM 984 OXT LYS A 68 5.552 -16.886 1.688 1.00 0.00 O ATOM 0 H LYS A 68 3.424 -14.753 1.651 1.00 0.00 H new ATOM 0 HA LYS A 68 5.175 -14.701 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.670 -15.047 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.887 -16.559 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.668 -16.898 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.198 -17.496 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.353 -15.454 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.835 -14.712 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.541 -16.471 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.094 -17.153 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.800 -15.723 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.788 -14.612 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.489 -14.662 8.946 1.00 0.00 H new