USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 553 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 66 ASN :FLIP amide:sc= -13.5! C(o=-22!,f=-21!) USER MOD Set 1.2: A 73 GLN : amide:sc= -7.8! C(o=-21!,f=-22!) USER MOD Set 2.1: A 69 SER OG : rot -87:sc= 0.665 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.144 K(o=0.52,f=0.0063) USER MOD Set 3.1: A 31 THR OG1 : rot 157:sc= -8.23! USER MOD Set 3.2: A 39 GLN : amide:sc= -7.38! C(o=-16!,f=-19!) USER MOD Set 4.1: A 1 GLY N :NH3+ -174:sc= -23.5! (180deg=-17.8!) USER MOD Set 4.2: A 23 ASN :FLIP amide:sc= -21.1! C(o=-49!,f=-45!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.946 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.73) USER MOD Single : A 12 ASN : amide:sc= -1.84! C(o=-1.8!,f=-6.3!) USER MOD Single : A 13 ASN : amide:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 18 ASN : amide:sc= -6.39! C(o=-6.4!,f=-18!) USER MOD Single : A 21 SER OG : rot 37:sc= 0.856! USER MOD Single : A 22 ASN :FLIP amide:sc= -2.82! C(o=-4.9!,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 3:sc= 0.915 USER MOD Single : A 34 SER OG : rot -35:sc= 0.382 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 160:sc= -4.38! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= -1.32! (180deg=-1.81!) USER MOD Single : A 53 THR OG1 : rot -154:sc= -7.28! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.251 (180deg=-1.48!) USER MOD Single : A 71 SER OG : rot -55:sc= 0.54 USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.368) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 87 GLN : amide:sc= -9.13! C(o=-9.1!,f=-21!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -6.34! C(o=-6.3!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.980 -5.364 3.830 1.00 1.00 N ATOM 2 CA GLY A 1 6.614 -6.377 3.111 1.00 1.00 C ATOM 3 C GLY A 1 6.436 -7.536 3.986 1.00 1.00 C ATOM 4 O GLY A 1 7.449 -8.158 4.352 1.00 1.00 O ATOM 0 H1 GLY A 1 7.011 -4.510 3.237 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.299 -5.223 4.603 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.924 -5.544 4.228 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.684 -6.153 2.588 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.364 -6.590 2.350 1.00 1.00 H new ATOM 10 N SER A 2 5.102 -7.966 4.388 1.00 1.00 N ATOM 11 CA SER A 2 4.968 -9.160 5.209 1.00 1.00 C ATOM 12 C SER A 2 3.868 -9.946 4.628 1.00 1.00 C ATOM 13 O SER A 2 4.083 -11.027 4.072 1.00 1.00 O ATOM 14 CB SER A 2 4.699 -8.793 6.665 1.00 1.00 C ATOM 15 OG SER A 2 5.175 -9.817 7.524 1.00 1.00 O ATOM 0 H SER A 2 4.230 -7.497 4.142 1.00 1.00 H new ATOM 0 HA SER A 2 5.889 -9.743 5.214 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.188 -7.849 6.906 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.630 -8.646 6.819 1.00 1.00 H new ATOM 0 HG SER A 2 4.999 -9.570 8.456 1.00 1.00 H new ATOM 21 N GLY A 3 2.708 -9.482 4.781 1.00 1.00 N ATOM 22 CA GLY A 3 1.571 -10.169 4.279 1.00 1.00 C ATOM 23 C GLY A 3 0.450 -9.222 4.040 1.00 1.00 C ATOM 24 O GLY A 3 0.535 -8.072 4.382 1.00 1.00 O ATOM 0 H GLY A 3 2.499 -8.606 5.261 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.828 -10.678 3.350 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.261 -10.936 4.988 1.00 1.00 H new ATOM 28 N PRO A 4 -0.611 -9.684 3.454 1.00 1.00 N ATOM 29 CA PRO A 4 -1.777 -8.820 3.157 1.00 1.00 C ATOM 30 C PRO A 4 -2.207 -8.238 4.310 1.00 1.00 C ATOM 31 O PRO A 4 -3.086 -8.772 4.963 1.00 1.00 O ATOM 32 CB PRO A 4 -2.842 -9.768 2.589 1.00 1.00 C ATOM 33 CG PRO A 4 -2.335 -11.148 2.940 1.00 1.00 C ATOM 34 CD PRO A 4 -0.803 -11.025 3.041 1.00 1.00 C ATOM 0 HA PRO A 4 -1.546 -8.019 2.455 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.820 -9.579 3.031 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.950 -9.646 1.511 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.762 -11.492 3.882 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.619 -11.873 2.178 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.389 -11.731 3.761 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.319 -11.225 2.085 1.00 1.00 H new ATOM 42 N THR A 5 -1.674 -7.181 4.641 1.00 1.00 N ATOM 43 CA THR A 5 -2.017 -6.538 5.815 1.00 1.00 C ATOM 44 C THR A 5 -0.930 -5.760 6.310 1.00 1.00 C ATOM 45 O THR A 5 -1.162 -4.991 7.113 1.00 1.00 O ATOM 46 CB THR A 5 -2.383 -7.497 7.015 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.141 -6.823 8.263 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.543 -8.856 7.002 1.00 1.00 C ATOM 0 H THR A 5 -0.957 -6.707 4.093 1.00 1.00 H new ATOM 0 HA THR A 5 -2.888 -5.949 5.527 1.00 1.00 H new ATOM 0 HB THR A 5 -3.436 -7.753 6.902 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.265 -5.858 8.143 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.838 -9.474 7.850 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.738 -9.395 6.075 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.480 -8.627 7.072 1.00 1.00 H new ATOM 56 N TYR A 6 0.480 -6.149 5.997 1.00 1.00 N ATOM 57 CA TYR A 6 1.527 -5.468 6.722 1.00 1.00 C ATOM 58 C TYR A 6 1.301 -4.277 6.962 1.00 1.00 C ATOM 59 O TYR A 6 1.787 -3.716 7.968 1.00 1.00 O ATOM 60 CB TYR A 6 2.912 -5.555 6.247 1.00 1.00 C ATOM 61 CG TYR A 6 3.875 -5.147 7.658 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.229 -6.148 8.591 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.296 -3.785 7.944 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.981 -5.826 9.736 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.041 -3.500 9.091 1.00 1.00 C ATOM 66 CZ TYR A 6 5.385 -4.513 9.975 1.00 1.00 C ATOM 67 OH TYR A 6 6.122 -4.216 11.101 1.00 1.00 O ATOM 0 H TYR A 6 0.776 -6.851 5.319 1.00 1.00 H new ATOM 0 HA TYR A 6 1.475 -6.083 7.620 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.146 -6.555 5.880 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.096 -4.863 5.425 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.920 -7.169 8.424 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.031 -2.988 7.265 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.248 -6.603 10.437 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.351 -2.485 9.291 1.00 1.00 H new ATOM 0 HH TYR A 6 6.323 -3.257 11.117 1.00 1.00 H new ATOM 77 N CYS A 7 0.533 -3.713 6.157 1.00 1.00 N ATOM 78 CA CYS A 7 0.221 -2.490 6.361 1.00 1.00 C ATOM 79 C CYS A 7 1.325 -1.593 6.558 1.00 1.00 C ATOM 80 O CYS A 7 1.374 -0.853 7.553 1.00 1.00 O ATOM 81 CB CYS A 7 -0.639 -2.437 7.546 1.00 1.00 C ATOM 82 SG CYS A 7 -1.297 -0.701 7.786 1.00 1.00 S ATOM 0 H CYS A 7 0.120 -4.145 5.331 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.272 -2.148 5.451 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.468 -3.136 7.435 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.077 -2.746 8.427 1.00 1.00 H new ATOM 87 N TRP A 8 2.146 -1.563 5.606 1.00 1.00 N ATOM 88 CA TRP A 8 3.222 -0.587 5.651 1.00 1.00 C ATOM 89 C TRP A 8 2.504 0.691 6.023 1.00 1.00 C ATOM 90 O TRP A 8 1.766 1.159 5.207 1.00 1.00 O ATOM 91 CB TRP A 8 3.835 -0.388 4.339 1.00 1.00 C ATOM 92 CG TRP A 8 5.120 0.578 4.519 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.411 1.752 3.795 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.253 0.461 5.522 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.613 2.264 4.232 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.159 1.522 5.302 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.591 -0.477 6.591 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.320 1.661 6.082 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.752 -0.302 7.347 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.603 0.756 7.094 1.00 1.00 C ATOM 0 H TRP A 8 2.129 -2.171 4.787 1.00 1.00 H new ATOM 0 HA TRP A 8 4.015 -0.896 6.332 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.136 -1.345 3.912 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.119 0.058 3.649 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.791 2.181 3.022 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.059 3.087 3.828 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.938 -1.312 6.798 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.998 2.480 5.892 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.987 -1.000 8.137 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.496 0.880 7.689 1.00 1.00 H new ATOM 111 N ASN A 9 2.569 1.196 7.279 1.00 1.00 N ATOM 112 CA ASN A 9 1.734 2.325 7.647 1.00 1.00 C ATOM 113 C ASN A 9 1.391 3.219 6.559 1.00 1.00 C ATOM 114 O ASN A 9 0.261 3.700 6.462 1.00 1.00 O ATOM 115 CB ASN A 9 2.368 3.100 8.795 1.00 1.00 C ATOM 116 CG ASN A 9 2.612 2.169 9.981 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.787 1.304 10.274 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.706 2.299 10.690 1.00 1.00 N ATOM 0 H ASN A 9 3.175 0.842 8.020 1.00 1.00 H new ATOM 0 HA ASN A 9 0.786 1.888 7.962 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.309 3.543 8.470 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.716 3.921 9.094 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.874 1.683 11.485 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.389 3.016 10.447 1.00 1.00 H new ATOM 125 N GLU A 10 2.289 3.462 5.786 1.00 1.00 N ATOM 126 CA GLU A 10 2.111 4.344 4.681 1.00 1.00 C ATOM 127 C GLU A 10 1.383 5.615 5.097 1.00 1.00 C ATOM 128 O GLU A 10 0.423 6.058 4.445 1.00 1.00 O ATOM 129 CB GLU A 10 1.357 3.725 3.474 1.00 1.00 C ATOM 130 CG GLU A 10 2.203 2.752 2.781 1.00 1.00 C ATOM 131 CD GLU A 10 1.357 1.867 1.846 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.653 2.420 1.015 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.428 0.658 1.982 1.00 1.00 O ATOM 0 H GLU A 10 3.226 3.065 5.860 1.00 1.00 H new ATOM 0 HA GLU A 10 3.127 4.566 4.353 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.444 3.240 3.819 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.058 4.513 2.782 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.968 3.272 2.205 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.722 2.129 3.510 1.00 1.00 H new ATOM 140 N ALA A 11 1.903 6.225 6.103 1.00 1.00 N ATOM 141 CA ALA A 11 1.456 7.401 6.509 1.00 1.00 C ATOM 142 C ALA A 11 2.487 7.940 7.383 1.00 1.00 C ATOM 143 O ALA A 11 2.741 7.402 8.458 1.00 1.00 O ATOM 144 CB ALA A 11 0.168 7.322 7.158 1.00 1.00 C ATOM 0 H ALA A 11 2.681 5.858 6.651 1.00 1.00 H new ATOM 0 HA ALA A 11 1.278 8.058 5.658 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.145 8.319 7.468 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.565 6.911 6.463 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.240 6.676 8.033 1.00 1.00 H new ATOM 150 N ASN A 12 3.009 8.955 6.983 1.00 1.00 N ATOM 151 CA ASN A 12 4.053 9.716 7.720 1.00 1.00 C ATOM 152 C ASN A 12 4.976 10.614 6.677 1.00 1.00 C ATOM 153 O ASN A 12 6.176 10.775 6.866 1.00 1.00 O ATOM 154 CB ASN A 12 4.920 8.741 8.589 1.00 1.00 C ATOM 155 CG ASN A 12 6.307 9.308 8.870 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.293 8.858 8.289 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.440 10.278 9.737 1.00 1.00 N ATOM 0 H ASN A 12 2.767 9.377 6.087 1.00 1.00 H new ATOM 0 HA ASN A 12 3.568 10.419 8.398 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.410 8.545 9.532 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.016 7.785 8.074 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.364 10.664 9.933 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.620 10.649 10.217 1.00 1.00 H new ATOM 164 N ASN A 13 4.306 11.283 5.660 1.00 1.00 N ATOM 165 CA ASN A 13 4.991 12.202 4.762 1.00 1.00 C ATOM 166 C ASN A 13 4.014 12.740 3.663 1.00 1.00 C ATOM 167 O ASN A 13 2.986 12.123 3.381 1.00 1.00 O ATOM 168 CB ASN A 13 6.191 11.555 4.090 1.00 1.00 C ATOM 169 CG ASN A 13 7.453 12.446 4.192 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.102 12.721 3.184 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.825 12.900 5.353 1.00 1.00 N ATOM 0 H ASN A 13 3.308 11.180 5.474 1.00 1.00 H new ATOM 0 HA ASN A 13 5.345 13.031 5.375 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.390 10.588 4.552 1.00 1.00 H new ATOM 0 HB3 ASN A 13 5.963 11.366 3.041 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.657 13.486 5.429 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.285 12.670 6.187 1.00 1.00 H new ATOM 178 N PRO A 14 4.357 13.873 3.030 1.00 1.00 N ATOM 179 CA PRO A 14 3.543 14.479 1.944 1.00 1.00 C ATOM 180 C PRO A 14 3.893 13.912 0.561 1.00 1.00 C ATOM 181 O PRO A 14 2.997 13.661 -0.242 1.00 1.00 O ATOM 182 CB PRO A 14 3.842 15.992 2.045 1.00 1.00 C ATOM 183 CG PRO A 14 4.918 16.090 3.112 1.00 1.00 C ATOM 184 CD PRO A 14 5.494 14.676 3.276 1.00 1.00 C ATOM 0 HA PRO A 14 2.482 14.258 2.059 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.188 16.394 1.093 1.00 1.00 H new ATOM 0 HB3 PRO A 14 2.952 16.556 2.324 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.695 16.794 2.816 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.501 16.451 4.052 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.297 14.476 2.567 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.902 14.513 4.274 1.00 1.00 H new ATOM 192 N GLY A 15 5.147 13.678 0.300 1.00 1.00 N ATOM 193 CA GLY A 15 5.554 13.072 -1.026 1.00 1.00 C ATOM 194 C GLY A 15 4.639 11.936 -1.290 1.00 1.00 C ATOM 195 O GLY A 15 3.659 12.013 -2.031 1.00 1.00 O ATOM 0 H GLY A 15 5.918 13.875 0.938 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.488 13.812 -1.823 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.589 12.732 -0.992 1.00 1.00 H new ATOM 199 N GLY A 16 4.941 10.988 -0.634 1.00 1.00 N ATOM 200 CA GLY A 16 4.237 9.759 -0.577 1.00 1.00 C ATOM 201 C GLY A 16 3.905 9.601 0.839 1.00 1.00 C ATOM 202 O GLY A 16 3.873 10.599 1.560 1.00 1.00 O ATOM 0 H GLY A 16 5.768 10.990 -0.036 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.340 9.785 -1.196 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.849 8.932 -0.937 1.00 1.00 H new ATOM 206 N PRO A 17 3.687 8.450 1.329 1.00 1.00 N ATOM 207 CA PRO A 17 3.393 8.287 2.777 1.00 1.00 C ATOM 208 C PRO A 17 4.636 8.506 3.421 1.00 1.00 C ATOM 209 O PRO A 17 5.421 9.243 2.903 1.00 1.00 O ATOM 210 CB PRO A 17 3.006 6.796 2.804 1.00 1.00 C ATOM 211 CG PRO A 17 2.675 6.477 1.445 1.00 1.00 C ATOM 212 CD PRO A 17 3.665 7.214 0.665 1.00 1.00 C ATOM 0 HA PRO A 17 2.641 8.929 3.235 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.830 6.180 3.165 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.160 6.619 3.469 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.736 5.405 1.259 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.659 6.786 1.197 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.640 6.726 0.675 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.370 7.316 -0.379 1.00 1.00 H new ATOM 220 N ASN A 18 4.920 7.797 4.576 1.00 1.00 N ATOM 221 CA ASN A 18 6.247 7.890 5.186 1.00 1.00 C ATOM 222 C ASN A 18 7.298 7.922 4.024 1.00 1.00 C ATOM 223 O ASN A 18 8.494 8.096 4.241 1.00 1.00 O ATOM 224 CB ASN A 18 6.520 6.588 6.089 1.00 1.00 C ATOM 225 CG ASN A 18 5.259 5.713 6.158 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.245 6.121 6.710 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.275 4.526 5.618 1.00 1.00 N ATOM 0 H ASN A 18 4.261 7.189 5.062 1.00 1.00 H new ATOM 0 HA ASN A 18 6.316 8.781 5.810 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.347 6.014 5.671 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.817 6.889 7.093 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.443 3.937 5.655 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.120 4.186 5.158 1.00 1.00 H new ATOM 234 N ARG A 19 6.716 7.663 2.754 1.00 1.00 N ATOM 235 CA ARG A 19 7.372 7.575 1.560 1.00 1.00 C ATOM 236 C ARG A 19 7.775 6.328 1.539 1.00 1.00 C ATOM 237 O ARG A 19 8.833 6.022 2.056 1.00 1.00 O ATOM 238 CB ARG A 19 8.478 8.671 1.384 1.00 1.00 C ATOM 239 CG ARG A 19 7.799 9.918 0.792 1.00 1.00 C ATOM 240 CD ARG A 19 7.849 9.849 -0.775 1.00 1.00 C ATOM 241 NE ARG A 19 9.106 10.434 -1.259 1.00 1.00 N ATOM 242 CZ ARG A 19 9.267 10.764 -2.535 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.300 10.572 -3.388 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.399 11.283 -2.936 1.00 1.00 N ATOM 0 H ARG A 19 5.712 7.518 2.650 1.00 1.00 H new ATOM 0 HA ARG A 19 6.752 7.793 0.691 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.942 8.905 2.342 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.270 8.315 0.724 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.765 9.977 1.131 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.301 10.819 1.143 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.768 8.813 -1.105 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.000 10.386 -1.199 1.00 1.00 H new ATOM 0 HE ARG A 19 9.870 10.590 -0.602 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.417 10.167 -3.076 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.426 10.826 -4.368 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.156 11.433 -2.269 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.525 11.537 -3.916 1.00 1.00 H new ATOM 258 N CYS A 20 6.746 5.383 0.870 1.00 1.00 N ATOM 259 CA CYS A 20 6.928 3.891 0.733 1.00 1.00 C ATOM 260 C CYS A 20 8.357 3.795 1.237 1.00 1.00 C ATOM 261 O CYS A 20 9.228 4.469 0.678 1.00 1.00 O ATOM 262 CB CYS A 20 6.669 3.507 -0.789 1.00 1.00 C ATOM 263 SG CYS A 20 6.644 1.604 -1.230 1.00 1.00 S ATOM 0 H CYS A 20 5.868 5.718 0.475 1.00 1.00 H new ATOM 0 HA CYS A 20 6.270 3.206 1.268 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.714 3.937 -1.089 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.438 3.985 -1.395 1.00 1.00 H new ATOM 268 N SER A 21 8.604 3.105 2.271 1.00 1.00 N ATOM 269 CA SER A 21 10.019 3.162 2.884 1.00 1.00 C ATOM 270 C SER A 21 10.695 1.840 3.327 1.00 1.00 C ATOM 271 O SER A 21 11.776 1.887 3.880 1.00 1.00 O ATOM 272 CB SER A 21 9.888 4.135 4.075 1.00 1.00 C ATOM 273 OG SER A 21 10.758 3.734 5.128 1.00 1.00 O ATOM 0 H SER A 21 7.938 2.499 2.750 1.00 1.00 H new ATOM 0 HA SER A 21 10.698 3.474 2.091 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.132 5.148 3.756 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.858 4.152 4.430 1.00 1.00 H new ATOM 0 HG SER A 21 11.592 3.387 4.749 1.00 1.00 H new ATOM 279 N ASN A 22 10.128 0.724 3.035 1.00 1.00 N ATOM 280 CA ASN A 22 10.797 -0.576 3.379 1.00 1.00 C ATOM 281 C ASN A 22 10.269 -1.618 2.553 1.00 1.00 C ATOM 282 O ASN A 22 9.293 -1.431 1.900 1.00 1.00 O ATOM 283 CB ASN A 22 10.570 -0.931 4.862 1.00 1.00 C ATOM 284 CG ASN A 22 11.645 -0.259 5.790 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.753 0.247 5.277 1.00 1.00 O flip ATOM 286 ND2 ASN A 22 11.465 -0.220 7.005 1.00 1.00 N flip ATOM 0 H ASN A 22 9.224 0.636 2.570 1.00 1.00 H new ATOM 0 HA ASN A 22 11.868 -0.472 3.206 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.574 -0.608 5.165 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.606 -2.013 4.987 1.00 1.00 H new ATOM 0 HD21 ASN A 22 10.612 -0.609 7.407 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.169 0.201 7.612 1.00 1.00 H new ATOM 293 N ASN A 23 10.865 -2.789 2.621 1.00 1.00 N ATOM 294 CA ASN A 23 10.350 -3.861 1.887 1.00 1.00 C ATOM 295 C ASN A 23 9.965 -3.418 0.433 1.00 1.00 C ATOM 296 O ASN A 23 8.822 -3.485 0.052 1.00 1.00 O ATOM 297 CB ASN A 23 9.101 -4.422 2.710 1.00 1.00 C ATOM 298 CG ASN A 23 8.839 -3.613 4.075 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.898 -4.236 5.228 1.00 1.00 O flip ATOM 300 ND2 ASN A 23 8.561 -2.466 4.061 1.00 1.00 N flip ATOM 0 H ASN A 23 11.695 -2.995 3.177 1.00 1.00 H new ATOM 0 HA ASN A 23 11.093 -4.648 1.760 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.209 -4.371 2.086 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.268 -5.474 2.943 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.510 -1.964 3.174 1.00 1.00 H new ATOM 0 HD22 ASN A 23 8.372 -1.976 4.936 1.00 1.00 H new ATOM 307 N LYS A 24 10.974 -2.815 -0.297 1.00 1.00 N ATOM 308 CA LYS A 24 10.753 -2.184 -1.657 1.00 1.00 C ATOM 309 C LYS A 24 10.013 -0.887 -1.460 1.00 1.00 C ATOM 310 O LYS A 24 9.467 -0.339 -2.390 1.00 1.00 O ATOM 311 CB LYS A 24 10.024 -3.025 -2.629 1.00 1.00 C ATOM 312 CG LYS A 24 10.790 -4.255 -3.008 1.00 1.00 C ATOM 313 CD LYS A 24 9.821 -5.245 -3.835 1.00 1.00 C ATOM 314 CE LYS A 24 10.476 -5.670 -5.189 1.00 1.00 C ATOM 315 NZ LYS A 24 10.258 -4.597 -6.217 1.00 1.00 N ATOM 0 H LYS A 24 11.938 -2.753 0.030 1.00 1.00 H new ATOM 0 HA LYS A 24 11.741 -2.037 -2.093 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.063 -3.315 -2.205 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.814 -2.441 -3.525 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.657 -3.987 -3.611 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.165 -4.755 -2.115 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.605 -6.131 -3.238 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.869 -4.751 -4.027 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.543 -5.842 -5.049 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.044 -6.610 -5.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.695 -4.884 -7.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.238 -4.454 -6.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.690 -3.709 -5.889 1.00 1.00 H new ATOM 329 N GLN A 25 10.039 -0.443 -0.176 1.00 1.00 N ATOM 330 CA GLN A 25 9.442 0.760 0.289 1.00 1.00 C ATOM 331 C GLN A 25 8.083 0.552 0.783 1.00 1.00 C ATOM 332 O GLN A 25 7.527 1.428 1.315 1.00 1.00 O ATOM 333 CB GLN A 25 9.531 1.893 -0.772 1.00 1.00 C ATOM 334 CG GLN A 25 10.943 2.545 -0.746 1.00 1.00 C ATOM 335 CD GLN A 25 11.784 2.104 -1.968 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.770 1.388 -1.815 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.440 2.499 -3.165 1.00 1.00 N ATOM 0 H GLN A 25 10.506 -0.963 0.567 1.00 1.00 H new ATOM 0 HA GLN A 25 10.022 1.093 1.149 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.327 1.489 -1.764 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.770 2.648 -0.573 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.845 3.631 -0.741 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.458 2.267 0.173 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.621 3.094 -3.290 1.00 1.00 H new ATOM 0 HE22 GLN A 25 11.991 2.213 -3.974 1.00 1.00 H new ATOM 346 N CYS A 26 7.505 -0.593 0.614 1.00 1.00 N ATOM 347 CA CYS A 26 6.095 -0.752 1.124 1.00 1.00 C ATOM 348 C CYS A 26 5.988 -1.736 2.375 1.00 1.00 C ATOM 349 O CYS A 26 6.777 -1.654 3.219 1.00 1.00 O ATOM 350 CB CYS A 26 5.186 -1.004 -0.148 1.00 1.00 C ATOM 351 SG CYS A 26 4.776 0.749 -0.867 1.00 1.00 S ATOM 0 H CYS A 26 7.916 -1.410 0.163 1.00 1.00 H new ATOM 0 HA CYS A 26 5.702 0.145 1.602 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.707 -1.616 -0.885 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.275 -1.538 0.123 1.00 1.00 H new ATOM 356 N ASP A 27 5.039 -2.598 2.384 1.00 1.00 N ATOM 357 CA ASP A 27 4.806 -3.543 3.356 1.00 1.00 C ATOM 358 C ASP A 27 3.568 -4.121 3.050 1.00 1.00 C ATOM 359 O ASP A 27 2.650 -3.453 2.572 1.00 1.00 O ATOM 360 CB ASP A 27 4.965 -3.065 4.820 1.00 1.00 C ATOM 361 CG ASP A 27 5.663 -4.112 5.686 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.374 -5.275 5.530 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.484 -3.720 6.497 1.00 1.00 O ATOM 0 H ASP A 27 4.354 -2.645 1.630 1.00 1.00 H new ATOM 0 HA ASP A 27 5.595 -4.294 3.330 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.537 -2.137 4.839 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.983 -2.843 5.239 1.00 1.00 H new ATOM 368 N GLY A 28 3.526 -5.417 3.194 1.00 1.00 N ATOM 369 CA GLY A 28 2.435 -6.178 2.823 1.00 1.00 C ATOM 370 C GLY A 28 2.884 -7.521 2.027 1.00 1.00 C ATOM 371 O GLY A 28 2.124 -8.079 1.365 1.00 1.00 O ATOM 0 H GLY A 28 4.292 -5.962 3.589 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.865 -6.454 3.710 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.774 -5.584 2.191 1.00 1.00 H new ATOM 375 N ALA A 29 4.139 -7.980 2.252 1.00 1.00 N ATOM 376 CA ALA A 29 4.694 -9.257 1.673 1.00 1.00 C ATOM 377 C ALA A 29 6.130 -9.147 1.209 1.00 1.00 C ATOM 378 O ALA A 29 6.824 -10.159 1.147 1.00 1.00 O ATOM 379 CB ALA A 29 3.740 -9.898 0.566 1.00 1.00 C ATOM 0 H ALA A 29 4.808 -7.483 2.840 1.00 1.00 H new ATOM 0 HA ALA A 29 4.717 -9.958 2.507 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.190 -10.815 0.185 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.771 -10.127 1.009 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.607 -9.191 -0.253 1.00 1.00 H new ATOM 385 N ARG A 30 6.597 -7.959 0.824 1.00 1.00 N ATOM 386 CA ARG A 30 8.028 -7.903 0.299 1.00 1.00 C ATOM 387 C ARG A 30 9.076 -8.716 1.273 1.00 1.00 C ATOM 388 O ARG A 30 8.738 -9.249 2.327 1.00 1.00 O ATOM 389 CB ARG A 30 8.589 -6.380 -0.160 1.00 1.00 C ATOM 390 CG ARG A 30 7.624 -5.743 -1.078 1.00 1.00 C ATOM 391 CD ARG A 30 6.565 -4.742 -0.420 1.00 1.00 C ATOM 392 NE ARG A 30 6.733 -3.467 -1.031 1.00 1.00 N ATOM 393 CZ ARG A 30 6.679 -3.316 -2.401 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.594 -4.393 -3.174 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.755 -2.107 -2.940 1.00 1.00 N ATOM 0 H ARG A 30 6.087 -7.076 0.846 1.00 1.00 H new ATOM 0 HA ARG A 30 7.983 -8.436 -0.651 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.732 -5.755 0.722 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.560 -6.472 -0.646 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.185 -5.196 -1.836 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.074 -6.530 -1.594 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.549 -5.107 -0.571 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.722 -4.673 0.656 1.00 1.00 H new ATOM 0 HE ARG A 30 6.897 -2.649 -0.444 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.569 -5.322 -2.753 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.554 -4.291 -4.188 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.854 -1.287 -2.341 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.715 -1.997 -3.953 1.00 1.00 H new ATOM 409 N THR A 31 10.221 -8.808 0.733 1.00 1.00 N ATOM 410 CA THR A 31 11.339 -9.504 1.168 1.00 1.00 C ATOM 411 C THR A 31 12.525 -8.766 0.956 1.00 1.00 C ATOM 412 O THR A 31 12.607 -8.233 0.018 1.00 1.00 O ATOM 413 CB THR A 31 11.401 -10.683 0.107 1.00 1.00 C ATOM 414 OG1 THR A 31 11.719 -10.248 -1.164 1.00 1.00 O ATOM 415 CG2 THR A 31 10.038 -11.356 0.078 1.00 1.00 C ATOM 0 H THR A 31 10.412 -8.327 -0.146 1.00 1.00 H new ATOM 0 HA THR A 31 11.271 -9.766 2.224 1.00 1.00 H new ATOM 0 HB THR A 31 12.190 -11.371 0.411 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.099 -10.991 -1.678 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.051 -12.172 -0.644 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.806 -11.750 1.067 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.279 -10.629 -0.210 1.00 1.00 H new ATOM 423 N CYS A 32 13.450 -8.654 1.823 1.00 1.00 N ATOM 424 CA CYS A 32 14.690 -7.730 1.424 1.00 1.00 C ATOM 425 C CYS A 32 15.653 -8.448 0.577 1.00 1.00 C ATOM 426 O CYS A 32 15.422 -9.548 0.102 1.00 1.00 O ATOM 427 CB CYS A 32 15.381 -6.931 2.694 1.00 1.00 C ATOM 428 SG CYS A 32 16.666 -5.761 2.170 1.00 1.00 S ATOM 0 H CYS A 32 13.479 -9.093 2.743 1.00 1.00 H new ATOM 0 HA CYS A 32 14.280 -6.925 0.814 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.608 -6.393 3.244 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.815 -7.657 3.382 1.00 1.00 H new ATOM 433 N SER A 33 16.695 -7.839 0.436 1.00 1.00 N ATOM 434 CA SER A 33 17.830 -8.434 -0.393 1.00 1.00 C ATOM 435 C SER A 33 18.561 -9.392 0.417 1.00 1.00 C ATOM 436 O SER A 33 19.496 -10.066 -0.012 1.00 1.00 O ATOM 437 CB SER A 33 18.638 -7.443 -1.022 1.00 1.00 C ATOM 438 OG SER A 33 19.807 -8.050 -1.569 1.00 1.00 O ATOM 0 H SER A 33 16.890 -6.923 0.840 1.00 1.00 H new ATOM 0 HA SER A 33 17.411 -8.979 -1.239 1.00 1.00 H new ATOM 0 HB2 SER A 33 18.072 -6.946 -1.810 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.919 -6.677 -0.299 1.00 1.00 H new ATOM 0 HG SER A 33 19.769 -9.019 -1.428 1.00 1.00 H new ATOM 444 N SER A 34 18.051 -9.515 1.497 1.00 1.00 N ATOM 445 CA SER A 34 18.368 -10.399 2.496 1.00 1.00 C ATOM 446 C SER A 34 16.957 -11.135 2.884 1.00 1.00 C ATOM 447 O SER A 34 16.885 -11.822 3.898 1.00 1.00 O ATOM 448 CB SER A 34 18.896 -9.639 3.648 1.00 1.00 C ATOM 449 OG SER A 34 19.308 -10.537 4.666 1.00 1.00 O ATOM 0 H SER A 34 17.274 -8.914 1.772 1.00 1.00 H new ATOM 0 HA SER A 34 19.123 -11.128 2.200 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.737 -9.021 3.333 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.131 -8.965 4.033 1.00 1.00 H new ATOM 0 HG SER A 34 18.711 -11.314 4.678 1.00 1.00 H new ATOM 455 N SER A 35 15.803 -10.953 1.958 1.00 1.00 N ATOM 456 CA SER A 35 14.580 -11.522 2.143 1.00 1.00 C ATOM 457 C SER A 35 13.936 -10.952 3.267 1.00 1.00 C ATOM 458 O SER A 35 12.767 -11.223 3.553 1.00 1.00 O ATOM 459 CB SER A 35 14.680 -12.958 2.307 1.00 1.00 C ATOM 460 OG SER A 35 15.475 -13.501 1.267 1.00 1.00 O ATOM 0 H SER A 35 15.858 -10.382 1.115 1.00 1.00 H new ATOM 0 HA SER A 35 13.987 -11.325 1.250 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.120 -13.194 3.276 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.687 -13.406 2.291 1.00 1.00 H new ATOM 0 HG SER A 35 15.543 -14.472 1.380 1.00 1.00 H new ATOM 466 N GLY A 36 14.695 -10.149 3.953 1.00 1.00 N ATOM 467 CA GLY A 36 14.218 -9.517 5.093 1.00 1.00 C ATOM 468 C GLY A 36 12.928 -8.933 4.778 1.00 1.00 C ATOM 469 O GLY A 36 11.901 -9.456 5.174 1.00 1.00 O ATOM 0 H GLY A 36 15.663 -9.929 3.716 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.123 -10.230 5.912 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.915 -8.746 5.421 1.00 1.00 H new ATOM 473 N PHE A 37 12.956 -7.873 4.055 1.00 1.00 N ATOM 474 CA PHE A 37 11.852 -7.245 3.688 1.00 1.00 C ATOM 475 C PHE A 37 12.262 -5.993 2.951 1.00 1.00 C ATOM 476 O PHE A 37 12.274 -4.934 3.553 1.00 1.00 O ATOM 477 CB PHE A 37 10.937 -6.877 4.982 1.00 1.00 C ATOM 478 CG PHE A 37 11.768 -6.223 6.114 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.414 -7.023 7.091 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.882 -4.809 6.187 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.160 -6.418 8.107 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.628 -4.223 7.209 1.00 1.00 C ATOM 483 CZ PHE A 37 13.269 -5.024 8.166 1.00 1.00 C ATOM 0 H PHE A 37 13.815 -7.442 3.715 1.00 1.00 H new ATOM 0 HA PHE A 37 11.251 -7.886 3.043 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.139 -6.199 4.680 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.461 -7.782 5.359 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.330 -8.099 7.050 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.391 -4.188 5.452 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.654 -7.028 8.849 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.713 -3.148 7.264 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.849 -4.563 8.952 1.00 1.00 H new ATOM 493 N CYS A 38 12.685 -6.071 1.501 1.00 1.00 N ATOM 494 CA CYS A 38 13.104 -4.876 0.702 1.00 1.00 C ATOM 495 C CYS A 38 13.247 -5.228 -0.702 1.00 1.00 C ATOM 496 O CYS A 38 13.919 -4.573 -1.490 1.00 1.00 O ATOM 497 CB CYS A 38 14.363 -4.191 1.253 1.00 1.00 C ATOM 498 SG CYS A 38 15.856 -4.925 0.583 1.00 1.00 S ATOM 0 H CYS A 38 12.712 -6.944 0.975 1.00 1.00 H new ATOM 0 HA CYS A 38 12.309 -4.136 0.793 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.337 -3.129 1.009 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.374 -4.268 2.340 1.00 1.00 H new ATOM 503 N GLN A 39 12.644 -6.284 -0.980 1.00 1.00 N ATOM 504 CA GLN A 39 12.629 -6.902 -2.236 1.00 1.00 C ATOM 505 C GLN A 39 11.454 -7.858 -2.271 1.00 1.00 C ATOM 506 O GLN A 39 11.053 -8.302 -1.320 1.00 1.00 O ATOM 507 CB GLN A 39 14.047 -7.594 -2.413 1.00 1.00 C ATOM 508 CG GLN A 39 14.051 -9.085 -2.195 1.00 1.00 C ATOM 509 CD GLN A 39 13.255 -9.801 -3.293 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.873 -10.958 -3.129 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.986 -9.176 -4.408 1.00 1.00 N ATOM 0 H GLN A 39 12.097 -6.793 -0.286 1.00 1.00 H new ATOM 0 HA GLN A 39 12.488 -6.217 -3.072 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.415 -7.386 -3.418 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.749 -7.137 -1.716 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.077 -9.452 -2.186 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.621 -9.315 -1.220 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.303 -8.216 -4.544 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.459 -9.648 -5.143 1.00 1.00 H new ATOM 520 N GLY A 40 10.863 -8.083 -3.435 1.00 1.00 N ATOM 521 CA GLY A 40 9.667 -8.998 -3.504 1.00 1.00 C ATOM 522 C GLY A 40 8.316 -8.324 -3.941 1.00 1.00 C ATOM 523 O GLY A 40 8.160 -7.898 -5.083 1.00 1.00 O ATOM 0 H GLY A 40 11.154 -7.678 -4.325 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.891 -9.806 -4.201 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.524 -9.453 -2.524 1.00 1.00 H new ATOM 527 N THR A 41 7.301 -8.347 -3.004 1.00 1.00 N ATOM 528 CA THR A 41 5.896 -7.819 -3.329 1.00 1.00 C ATOM 529 C THR A 41 5.070 -7.249 -2.019 1.00 1.00 C ATOM 530 O THR A 41 5.160 -7.811 -0.971 1.00 1.00 O ATOM 531 CB THR A 41 5.115 -9.048 -3.938 1.00 1.00 C ATOM 532 OG1 THR A 41 4.447 -8.647 -5.128 1.00 1.00 O ATOM 533 CG2 THR A 41 4.101 -9.611 -2.953 1.00 1.00 C ATOM 0 H THR A 41 7.408 -8.706 -2.055 1.00 1.00 H new ATOM 0 HA THR A 41 5.984 -6.970 -4.006 1.00 1.00 H new ATOM 0 HB THR A 41 5.841 -9.830 -4.161 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.964 -9.412 -5.506 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.583 -10.456 -3.407 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.615 -9.943 -2.051 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.377 -8.838 -2.694 1.00 1.00 H new ATOM 541 N SER A 42 4.267 -6.211 -2.192 1.00 1.00 N ATOM 542 CA SER A 42 3.408 -5.681 -1.045 1.00 1.00 C ATOM 543 C SER A 42 2.085 -6.098 -1.247 1.00 1.00 C ATOM 544 O SER A 42 1.268 -5.340 -1.783 1.00 1.00 O ATOM 545 CB SER A 42 3.466 -4.069 -0.927 1.00 1.00 C ATOM 546 OG SER A 42 4.238 -3.568 -1.946 1.00 1.00 O ATOM 0 H SER A 42 4.164 -5.704 -3.071 1.00 1.00 H new ATOM 0 HA SER A 42 3.801 -6.082 -0.111 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.460 -3.652 -0.979 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.882 -3.778 0.037 1.00 1.00 H new ATOM 0 HG SER A 42 4.027 -2.621 -2.081 1.00 1.00 H new ATOM 552 N ARG A 43 1.764 -7.341 -0.847 1.00 1.00 N ATOM 553 CA ARG A 43 0.429 -7.878 -1.008 1.00 1.00 C ATOM 554 C ARG A 43 -0.276 -7.319 -2.082 1.00 1.00 C ATOM 555 O ARG A 43 -1.288 -6.669 -1.887 1.00 1.00 O ATOM 556 CB ARG A 43 -0.365 -7.798 0.307 1.00 1.00 C ATOM 557 CG ARG A 43 -0.319 -6.289 0.989 1.00 1.00 C ATOM 558 CD ARG A 43 -1.639 -5.488 0.561 1.00 1.00 C ATOM 559 NE ARG A 43 -1.990 -4.515 1.607 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.117 -3.585 2.045 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.063 -3.476 1.509 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.467 -2.774 3.000 1.00 1.00 N ATOM 0 H ARG A 43 2.424 -7.984 -0.410 1.00 1.00 H new ATOM 0 HA ARG A 43 0.554 -8.930 -1.263 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.402 -8.076 0.118 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.036 -8.524 1.014 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.260 -6.367 2.075 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.571 -5.753 0.660 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.473 -4.974 -0.386 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.464 -6.184 0.406 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.925 -4.545 2.015 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.337 -4.098 0.748 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.714 -2.769 1.849 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.397 -2.844 3.413 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.811 -2.068 3.336 1.00 1.00 H new ATOM 576 N LYS A 44 0.211 -7.651 -3.356 1.00 1.00 N ATOM 577 CA LYS A 44 -0.486 -7.213 -4.534 1.00 1.00 C ATOM 578 C LYS A 44 -1.812 -7.344 -4.256 1.00 1.00 C ATOM 579 O LYS A 44 -2.259 -8.393 -4.265 1.00 1.00 O ATOM 580 CB LYS A 44 -0.144 -8.074 -5.775 1.00 1.00 C ATOM 581 CG LYS A 44 -1.135 -7.666 -6.933 1.00 1.00 C ATOM 582 CD LYS A 44 -0.528 -7.963 -8.307 1.00 1.00 C ATOM 583 CE LYS A 44 -1.652 -7.962 -9.372 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.102 -8.387 -10.684 1.00 1.00 N ATOM 0 H LYS A 44 1.053 -8.200 -3.531 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.199 -6.189 -4.772 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.889 -7.910 -6.081 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.243 -9.134 -5.543 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.073 -8.209 -6.821 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.370 -6.604 -6.858 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.225 -7.214 -8.555 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.024 -8.929 -8.294 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.454 -8.635 -9.068 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -2.086 -6.966 -9.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.860 -8.385 -11.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.352 -7.729 -10.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.708 -9.346 -10.601 1.00 1.00 H new ATOM 598 N PRO A 45 -2.558 -6.233 -3.912 1.00 1.00 N ATOM 599 CA PRO A 45 -3.969 -6.355 -3.601 1.00 1.00 C ATOM 600 C PRO A 45 -4.554 -7.054 -4.729 1.00 1.00 C ATOM 601 O PRO A 45 -5.266 -6.507 -5.564 1.00 1.00 O ATOM 602 CB PRO A 45 -4.440 -4.936 -3.428 1.00 1.00 C ATOM 603 CG PRO A 45 -3.208 -4.206 -3.059 1.00 1.00 C ATOM 604 CD PRO A 45 -2.109 -4.870 -3.802 1.00 1.00 C ATOM 0 HA PRO A 45 -4.232 -6.913 -2.702 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.879 -4.544 -4.345 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.201 -4.857 -2.652 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.282 -3.152 -3.328 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.035 -4.249 -1.984 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.955 -4.417 -4.781 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.162 -4.801 -3.266 1.00 1.00 H new ATOM 612 N ASP A 46 -4.106 -8.287 -4.810 1.00 1.00 N ATOM 613 CA ASP A 46 -4.412 -9.143 -5.900 1.00 1.00 C ATOM 614 C ASP A 46 -5.846 -9.669 -5.800 1.00 1.00 C ATOM 615 O ASP A 46 -6.514 -9.443 -4.791 1.00 1.00 O ATOM 616 CB ASP A 46 -3.314 -10.409 -6.030 1.00 1.00 C ATOM 617 CG ASP A 46 -3.986 -11.780 -5.778 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.790 -11.866 -4.898 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.665 -12.713 -6.491 1.00 1.00 O ATOM 0 H ASP A 46 -3.511 -8.716 -4.102 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.330 -8.549 -6.810 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.866 -10.401 -7.024 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.505 -10.264 -5.314 1.00 1.00 H new ATOM 624 N PRO A 47 -6.346 -10.396 -6.829 1.00 1.00 N ATOM 625 CA PRO A 47 -7.708 -10.952 -6.790 1.00 1.00 C ATOM 626 C PRO A 47 -7.772 -12.186 -5.850 1.00 1.00 C ATOM 627 O PRO A 47 -8.221 -13.267 -6.241 1.00 1.00 O ATOM 628 CB PRO A 47 -8.014 -11.331 -8.295 1.00 1.00 C ATOM 629 CG PRO A 47 -6.807 -10.851 -9.094 1.00 1.00 C ATOM 630 CD PRO A 47 -5.662 -10.744 -8.106 1.00 1.00 C ATOM 0 HA PRO A 47 -8.444 -10.253 -6.393 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.156 -12.406 -8.407 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.929 -10.851 -8.642 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.567 -11.551 -9.894 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.008 -9.888 -9.563 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.111 -11.681 -8.025 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -4.946 -9.977 -8.401 1.00 1.00 H new ATOM 638 N GLY A 48 -7.323 -11.986 -4.596 1.00 1.00 N ATOM 639 CA GLY A 48 -7.328 -13.048 -3.577 1.00 1.00 C ATOM 640 C GLY A 48 -7.844 -12.461 -2.313 1.00 1.00 C ATOM 641 O GLY A 48 -8.977 -12.729 -1.907 1.00 1.00 O ATOM 0 H GLY A 48 -6.952 -11.095 -4.266 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.955 -13.881 -3.896 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.323 -13.444 -3.432 1.00 1.00 H new ATOM 645 N PRO A 49 -7.074 -11.589 -1.698 1.00 1.00 N ATOM 646 CA PRO A 49 -7.510 -10.916 -0.538 1.00 1.00 C ATOM 647 C PRO A 49 -8.728 -10.110 -0.872 1.00 1.00 C ATOM 648 O PRO A 49 -9.855 -10.538 -0.591 1.00 1.00 O ATOM 649 CB PRO A 49 -6.304 -10.001 -0.088 1.00 1.00 C ATOM 650 CG PRO A 49 -5.301 -10.045 -1.191 1.00 1.00 C ATOM 651 CD PRO A 49 -5.710 -11.201 -2.110 1.00 1.00 C ATOM 0 HA PRO A 49 -7.786 -11.595 0.269 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.639 -8.979 0.091 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.870 -10.362 0.845 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.285 -9.102 -1.738 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.297 -10.201 -0.796 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.691 -10.893 -3.155 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.020 -12.039 -2.012 1.00 1.00 H new ATOM 659 N LYS A 50 -8.505 -8.923 -1.449 1.00 1.00 N ATOM 660 CA LYS A 50 -9.576 -7.970 -1.817 1.00 1.00 C ATOM 661 C LYS A 50 -10.172 -7.330 -0.572 1.00 1.00 C ATOM 662 O LYS A 50 -11.394 -7.208 -0.470 1.00 1.00 O ATOM 663 CB LYS A 50 -10.750 -8.790 -2.636 1.00 1.00 C ATOM 664 CG LYS A 50 -10.785 -8.325 -4.223 1.00 1.00 C ATOM 665 CD LYS A 50 -11.643 -6.962 -4.415 1.00 1.00 C ATOM 666 CE LYS A 50 -10.990 -5.758 -3.631 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.573 -5.587 -4.066 1.00 1.00 N ATOM 0 H LYS A 50 -7.569 -8.588 -1.679 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.160 -7.180 -2.442 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.566 -9.862 -2.570 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.720 -8.604 -2.175 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.767 -8.171 -4.582 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.220 -9.120 -4.828 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.707 -6.716 -5.475 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.662 -7.119 -4.062 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.551 -4.842 -3.817 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.032 -5.944 -2.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.110 -4.874 -3.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.071 -6.493 -3.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.550 -5.274 -5.058 1.00 1.00 H new ATOM 681 N GLY A 51 -9.336 -6.963 0.461 1.00 1.00 N ATOM 682 CA GLY A 51 -9.826 -6.483 1.576 1.00 1.00 C ATOM 683 C GLY A 51 -8.941 -6.947 2.577 1.00 1.00 C ATOM 684 O GLY A 51 -8.266 -6.224 3.085 1.00 1.00 O ATOM 0 H GLY A 51 -8.319 -7.035 0.434 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.867 -5.394 1.556 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.842 -6.837 1.749 1.00 1.00 H new ATOM 688 N PRO A 52 -8.918 -8.256 2.837 1.00 1.00 N ATOM 689 CA PRO A 52 -7.978 -8.898 3.837 1.00 1.00 C ATOM 690 C PRO A 52 -6.540 -8.297 3.822 1.00 1.00 C ATOM 691 O PRO A 52 -5.630 -8.927 4.154 1.00 1.00 O ATOM 692 CB PRO A 52 -7.942 -10.343 3.389 1.00 1.00 C ATOM 693 CG PRO A 52 -9.301 -10.599 2.804 1.00 1.00 C ATOM 694 CD PRO A 52 -9.790 -9.241 2.228 1.00 1.00 C ATOM 0 HA PRO A 52 -8.323 -8.744 4.859 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.157 -10.509 2.652 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.740 -11.011 4.226 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.252 -11.358 2.023 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.988 -10.969 3.565 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.715 -9.220 1.141 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.835 -9.056 2.479 1.00 1.00 H new ATOM 702 N THR A 53 -6.444 -7.087 3.485 1.00 1.00 N ATOM 703 CA THR A 53 -5.208 -6.349 3.487 1.00 1.00 C ATOM 704 C THR A 53 -5.652 -4.949 3.714 1.00 1.00 C ATOM 705 O THR A 53 -6.814 -4.682 3.553 1.00 1.00 O ATOM 706 CB THR A 53 -4.398 -6.486 2.228 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.205 -5.277 1.708 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.102 -7.396 1.234 1.00 1.00 C ATOM 0 H THR A 53 -7.245 -6.533 3.182 1.00 1.00 H new ATOM 0 HA THR A 53 -4.523 -6.724 4.247 1.00 1.00 H new ATOM 0 HB THR A 53 -3.434 -6.938 2.461 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.070 -5.355 0.741 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.500 -7.482 0.330 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.236 -8.383 1.676 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.076 -6.976 0.983 1.00 1.00 H new ATOM 716 N TYR A 54 -4.855 -4.095 4.072 1.00 1.00 N ATOM 717 CA TYR A 54 -5.368 -2.697 4.372 1.00 1.00 C ATOM 718 C TYR A 54 -4.400 -1.892 5.138 1.00 1.00 C ATOM 719 O TYR A 54 -3.910 -2.342 6.181 1.00 1.00 O ATOM 720 CB TYR A 54 -6.696 -2.852 5.264 1.00 1.00 C ATOM 721 CG TYR A 54 -6.762 -1.809 6.458 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.099 -2.075 7.665 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.494 -0.614 6.318 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.168 -1.152 8.722 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.556 0.302 7.376 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.897 0.033 8.573 1.00 1.00 C ATOM 727 OH TYR A 54 -6.966 0.940 9.615 1.00 1.00 O ATOM 0 H TYR A 54 -3.852 -4.235 4.192 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.550 -2.189 3.425 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.572 -2.725 4.628 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.740 -3.863 5.668 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.536 -2.989 7.782 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.009 -0.403 5.392 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.657 -1.358 9.651 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.116 1.219 7.263 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.511 1.708 9.344 1.00 1.00 H new ATOM 737 N CYS A 55 -4.111 -0.559 4.644 1.00 1.00 N ATOM 738 CA CYS A 55 -3.143 0.334 5.469 1.00 1.00 C ATOM 739 C CYS A 55 -3.591 1.784 5.765 1.00 1.00 C ATOM 740 O CYS A 55 -3.407 2.337 6.853 1.00 1.00 O ATOM 741 CB CYS A 55 -1.786 0.382 4.817 1.00 1.00 C ATOM 742 SG CYS A 55 -0.543 0.500 6.187 1.00 1.00 S ATOM 0 H CYS A 55 -4.489 -0.144 3.792 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.128 -0.162 6.439 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.614 -0.510 4.214 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.708 1.239 4.148 1.00 1.00 H new ATOM 747 N TRP A 56 -4.182 2.323 4.735 1.00 1.00 N ATOM 748 CA TRP A 56 -4.693 3.561 4.661 1.00 1.00 C ATOM 749 C TRP A 56 -6.246 3.508 4.713 1.00 1.00 C ATOM 750 O TRP A 56 -6.800 2.861 5.602 1.00 1.00 O ATOM 751 CB TRP A 56 -4.242 4.134 3.296 1.00 1.00 C ATOM 752 CG TRP A 56 -4.515 5.605 3.266 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.040 6.207 2.253 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.285 6.660 4.315 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.156 7.508 2.519 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.718 7.837 3.800 1.00 1.00 C ATOM 757 CE3 TRP A 56 -3.739 6.683 5.660 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.660 9.042 4.517 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -3.680 7.888 6.373 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.145 9.060 5.800 1.00 1.00 C ATOM 0 H TRP A 56 -4.303 1.807 3.863 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.351 4.176 5.493 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.179 3.946 3.142 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -4.774 3.636 2.485 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.339 5.730 1.331 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.526 8.189 1.856 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.378 5.771 6.111 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.018 9.956 4.066 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.271 7.903 7.372 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.105 9.986 6.354 1.00 1.00 H new ATOM 771 N ASP A 57 -6.981 4.139 3.609 1.00 1.00 N ATOM 772 CA ASP A 57 -8.395 4.076 3.473 1.00 1.00 C ATOM 773 C ASP A 57 -8.949 5.334 2.714 1.00 1.00 C ATOM 774 O ASP A 57 -10.143 5.611 2.807 1.00 1.00 O ATOM 775 CB ASP A 57 -9.047 4.010 4.839 1.00 1.00 C ATOM 776 CG ASP A 57 -9.410 2.568 5.219 1.00 1.00 C ATOM 777 OD1 ASP A 57 -8.805 1.664 4.669 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.285 2.398 6.049 1.00 1.00 O ATOM 0 H ASP A 57 -6.523 4.666 2.865 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.631 3.180 2.899 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.371 4.425 5.587 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.946 4.626 4.845 1.00 1.00 H new ATOM 783 N GLU A 58 -8.077 6.132 2.047 1.00 1.00 N ATOM 784 CA GLU A 58 -8.528 7.313 1.474 1.00 1.00 C ATOM 785 C GLU A 58 -7.453 8.005 0.862 1.00 1.00 C ATOM 786 O GLU A 58 -6.857 8.787 1.514 1.00 1.00 O ATOM 787 CB GLU A 58 -9.064 8.184 2.692 1.00 1.00 C ATOM 788 CG GLU A 58 -8.014 8.125 3.863 1.00 1.00 C ATOM 789 CD GLU A 58 -8.604 8.761 5.122 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.054 9.894 5.034 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.598 8.107 6.150 1.00 1.00 O ATOM 0 H GLU A 58 -7.083 5.937 1.923 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.287 7.125 0.715 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.220 9.216 2.377 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.028 7.805 3.031 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.737 7.090 4.063 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.103 8.648 3.573 1.00 1.00 H new ATOM 798 N ALA A 59 -7.094 7.818 -0.447 1.00 1.00 N ATOM 799 CA ALA A 59 -5.989 8.648 -0.966 1.00 1.00 C ATOM 800 C ALA A 59 -6.137 9.011 -2.533 1.00 1.00 C ATOM 801 O ALA A 59 -5.238 9.518 -3.068 1.00 1.00 O ATOM 802 CB ALA A 59 -4.825 7.911 -0.847 1.00 1.00 C ATOM 0 H ALA A 59 -7.517 7.159 -1.101 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.991 9.578 -0.397 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.985 8.495 -1.222 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.656 7.664 0.201 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.915 6.992 -1.426 1.00 1.00 H new ATOM 808 N LYS A 60 -7.344 8.681 -3.276 1.00 1.00 N ATOM 809 CA LYS A 60 -7.410 9.001 -4.722 1.00 1.00 C ATOM 810 C LYS A 60 -8.264 10.022 -4.969 1.00 1.00 C ATOM 811 O LYS A 60 -8.712 10.204 -6.107 1.00 1.00 O ATOM 812 CB LYS A 60 -7.719 7.818 -5.604 1.00 1.00 C ATOM 813 CG LYS A 60 -9.001 7.241 -5.186 1.00 1.00 C ATOM 814 CD LYS A 60 -9.358 5.928 -6.049 1.00 1.00 C ATOM 815 CE LYS A 60 -10.348 6.288 -7.228 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.531 7.014 -6.703 1.00 1.00 N ATOM 0 H LYS A 60 -8.174 8.237 -2.884 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.401 9.315 -4.987 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.767 8.127 -6.648 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -6.927 7.073 -5.528 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.959 6.983 -4.128 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.792 7.982 -5.303 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.444 5.493 -6.454 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.811 5.175 -5.404 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -9.835 6.902 -7.968 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.667 5.377 -7.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.361 6.797 -7.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.714 6.717 -5.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.349 8.038 -6.727 1.00 1.00 H new ATOM 872 N PRO A 65 -7.565 13.671 0.693 1.00 1.00 N ATOM 873 CA PRO A 65 -7.038 12.508 1.374 1.00 1.00 C ATOM 874 C PRO A 65 -5.577 12.411 1.197 1.00 1.00 C ATOM 875 O PRO A 65 -5.008 13.238 0.591 1.00 1.00 O ATOM 876 CB PRO A 65 -7.806 11.332 0.709 1.00 1.00 C ATOM 877 CG PRO A 65 -9.016 11.966 0.337 1.00 1.00 C ATOM 878 CD PRO A 65 -8.523 13.275 -0.262 1.00 1.00 C ATOM 0 HA PRO A 65 -7.178 12.528 2.455 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.273 10.927 -0.151 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -7.971 10.505 1.400 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.580 11.375 -0.385 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.669 12.131 1.194 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.085 13.136 -1.250 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.324 14.006 -0.368 1.00 1.00 H new ATOM 886 N ASN A 66 -4.956 11.459 1.823 1.00 1.00 N ATOM 887 CA ASN A 66 -3.445 11.356 1.743 1.00 1.00 C ATOM 888 C ASN A 66 -2.952 11.719 0.337 1.00 1.00 C ATOM 889 O ASN A 66 -1.795 12.065 0.126 1.00 1.00 O ATOM 890 CB ASN A 66 -2.959 9.890 2.048 1.00 1.00 C ATOM 891 CG ASN A 66 -2.167 9.798 3.393 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.544 10.850 3.861 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.119 8.732 4.009 1.00 1.00 N flip ATOM 0 H ASN A 66 -5.410 10.742 2.389 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.041 12.047 2.483 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -3.821 9.225 2.090 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.327 9.541 1.231 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -2.604 7.911 3.646 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.595 8.670 4.882 1.00 1.00 H new ATOM 900 N ARG A 67 -3.874 11.563 -0.578 1.00 1.00 N ATOM 901 CA ARG A 67 -3.679 11.787 -1.973 1.00 1.00 C ATOM 902 C ARG A 67 -2.769 10.726 -2.543 1.00 1.00 C ATOM 903 O ARG A 67 -1.694 10.455 -2.039 1.00 1.00 O ATOM 904 CB ARG A 67 -3.107 13.178 -2.274 1.00 1.00 C ATOM 905 CG ARG A 67 -4.183 14.237 -2.113 1.00 1.00 C ATOM 906 CD ARG A 67 -4.919 14.412 -3.415 1.00 1.00 C ATOM 907 NE ARG A 67 -4.092 15.138 -4.460 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.451 16.350 -4.249 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.587 17.028 -3.127 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.715 16.849 -5.211 1.00 1.00 N ATOM 0 H ARG A 67 -4.822 11.262 -0.352 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.660 11.732 -2.446 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.275 13.390 -1.602 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.711 13.204 -3.289 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.879 13.946 -1.327 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.734 15.182 -1.807 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.206 13.434 -3.800 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -5.840 14.967 -3.236 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.001 14.706 -5.379 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.179 16.664 -2.380 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.101 17.916 -3.006 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.622 16.348 -6.094 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.235 17.739 -5.077 1.00 1.00 H new ATOM 924 N CYS A 68 -3.198 10.229 -3.612 1.00 1.00 N ATOM 925 CA CYS A 68 -2.527 9.295 -4.377 1.00 1.00 C ATOM 926 C CYS A 68 -3.049 9.462 -5.635 1.00 1.00 C ATOM 927 O CYS A 68 -2.441 10.156 -6.460 1.00 1.00 O ATOM 928 CB CYS A 68 -2.572 7.774 -3.785 1.00 1.00 C ATOM 929 SG CYS A 68 -4.117 6.869 -3.826 1.00 1.00 S ATOM 0 H CYS A 68 -4.103 10.487 -4.007 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.449 9.456 -4.377 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.833 7.187 -4.330 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.243 7.816 -2.747 1.00 1.00 H new ATOM 934 N SER A 69 -4.106 8.906 -5.879 1.00 1.00 N ATOM 935 CA SER A 69 -4.726 9.026 -7.135 1.00 1.00 C ATOM 936 C SER A 69 -4.204 8.021 -8.093 1.00 1.00 C ATOM 937 O SER A 69 -4.949 7.516 -8.935 1.00 1.00 O ATOM 938 CB SER A 69 -4.562 10.478 -7.748 1.00 1.00 C ATOM 939 OG SER A 69 -3.399 10.521 -8.574 1.00 1.00 O ATOM 0 H SER A 69 -4.613 8.325 -5.211 1.00 1.00 H new ATOM 0 HA SER A 69 -5.788 8.844 -6.970 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.445 10.739 -8.332 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.480 11.214 -6.948 1.00 1.00 H new ATOM 0 HG SER A 69 -2.617 10.743 -8.027 1.00 1.00 H new ATOM 945 N ASN A 70 -2.855 7.808 -8.074 1.00 1.00 N ATOM 946 CA ASN A 70 -2.215 6.930 -9.097 1.00 1.00 C ATOM 947 C ASN A 70 -1.697 5.684 -8.578 1.00 1.00 C ATOM 948 O ASN A 70 -1.818 4.665 -9.234 1.00 1.00 O ATOM 949 CB ASN A 70 -1.059 7.691 -9.750 1.00 1.00 C ATOM 950 CG ASN A 70 -1.558 8.994 -10.361 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.051 10.070 -10.032 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.520 8.966 -11.236 1.00 1.00 N ATOM 0 H ASN A 70 -2.214 8.214 -7.392 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.002 6.673 -9.807 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.289 7.902 -9.008 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.598 7.073 -10.521 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.857 9.834 -11.652 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.938 8.076 -11.507 1.00 1.00 H new ATOM 959 N SER A 71 -1.124 5.727 -7.398 1.00 1.00 N ATOM 960 CA SER A 71 -0.532 4.437 -6.742 1.00 1.00 C ATOM 961 C SER A 71 0.598 4.699 -5.594 1.00 1.00 C ATOM 962 O SER A 71 1.631 4.045 -5.594 1.00 1.00 O ATOM 963 CB SER A 71 0.077 3.589 -7.866 1.00 1.00 C ATOM 964 OG SER A 71 1.123 2.767 -7.372 1.00 1.00 O ATOM 0 H SER A 71 -1.024 6.574 -6.838 1.00 1.00 H new ATOM 0 HA SER A 71 -1.351 3.938 -6.225 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.696 2.968 -8.318 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.461 4.241 -8.651 1.00 1.00 H new ATOM 0 HG SER A 71 1.793 3.324 -6.923 1.00 1.00 H new ATOM 970 N LYS A 72 0.446 5.760 -4.762 1.00 1.00 N ATOM 971 CA LYS A 72 1.579 6.156 -3.813 1.00 1.00 C ATOM 972 C LYS A 72 1.202 6.604 -2.533 1.00 1.00 C ATOM 973 O LYS A 72 1.806 7.518 -1.992 1.00 1.00 O ATOM 974 CB LYS A 72 2.273 7.459 -4.519 1.00 1.00 C ATOM 975 CG LYS A 72 1.251 8.669 -4.635 1.00 1.00 C ATOM 976 CD LYS A 72 1.882 9.967 -4.018 1.00 1.00 C ATOM 977 CE LYS A 72 1.086 11.225 -4.452 1.00 1.00 C ATOM 978 NZ LYS A 72 1.861 12.450 -4.081 1.00 1.00 N ATOM 0 H LYS A 72 -0.389 6.343 -4.708 1.00 1.00 H new ATOM 0 HA LYS A 72 2.188 5.264 -3.665 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.142 7.769 -3.939 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.633 7.188 -5.512 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.996 8.841 -5.681 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.324 8.424 -4.117 1.00 1.00 H new ATOM 0 HD2 LYS A 72 1.889 9.892 -2.931 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.920 10.060 -4.337 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.908 11.204 -5.527 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.110 11.237 -3.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.202 13.216 -3.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.471 12.241 -3.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.450 12.745 -4.886 1.00 1.00 H new ATOM 992 N GLN A 73 0.267 6.139 -2.117 1.00 1.00 N ATOM 993 CA GLN A 73 -0.331 6.591 -0.881 1.00 1.00 C ATOM 994 C GLN A 73 -1.739 6.080 -0.851 1.00 1.00 C ATOM 995 O GLN A 73 -2.593 6.800 -0.549 1.00 1.00 O ATOM 996 CB GLN A 73 -0.432 8.303 -0.898 1.00 1.00 C ATOM 997 CG GLN A 73 0.508 8.962 0.127 1.00 1.00 C ATOM 998 CD GLN A 73 0.043 8.648 1.547 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.681 7.678 1.763 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.411 9.421 2.531 1.00 1.00 N ATOM 0 H GLN A 73 -0.232 5.372 -2.567 1.00 1.00 H new ATOM 0 HA GLN A 73 0.257 6.245 -0.031 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.188 8.668 -1.896 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.459 8.605 -0.690 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.526 8.601 -0.018 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.527 10.041 -0.027 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.012 10.225 2.350 1.00 1.00 H new ATOM 0 HE22 GLN A 73 0.098 9.221 3.481 1.00 1.00 H new ATOM 1009 N CYS A 74 -1.978 4.799 -1.112 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.452 4.277 -1.037 1.00 1.00 C ATOM 1011 C CYS A 74 -3.508 3.267 0.070 1.00 1.00 C ATOM 1012 O CYS A 74 -2.801 3.497 1.024 1.00 1.00 O ATOM 1013 CB CYS A 74 -3.847 3.787 -2.470 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.268 4.990 -3.860 1.00 1.00 S ATOM 0 H CYS A 74 -1.274 4.105 -1.363 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.200 5.027 -0.778 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.413 2.803 -2.644 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -4.930 3.672 -2.524 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.422 2.109 0.082 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.429 1.211 1.442 1.00 1.00 C ATOM 1021 C ASP A 75 -3.849 -0.190 1.334 1.00 1.00 C ATOM 1022 O ASP A 75 -2.652 -0.389 1.544 1.00 1.00 O ATOM 1023 CB ASP A 75 -5.925 1.286 1.984 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.329 0.103 2.742 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.729 -0.851 2.114 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.280 0.154 3.958 1.00 1.00 O ATOM 0 H ASP A 75 -5.046 1.816 -0.670 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.723 1.624 2.163 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.030 2.167 2.617 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.603 1.417 1.140 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.685 -1.142 1.100 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.219 -2.583 1.075 1.00 1.00 C ATOM 1033 C GLY A 76 -5.011 -3.567 0.157 1.00 1.00 C ATOM 1034 O GLY A 76 -4.458 -4.548 -0.303 1.00 1.00 O ATOM 0 H GLY A 76 -5.680 -1.008 0.921 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.174 -2.596 0.764 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.253 -2.968 2.094 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.196 -3.316 -0.087 1.00 1.00 N ATOM 1039 CA ALA A 77 -7.005 -4.194 -0.927 1.00 1.00 C ATOM 1040 C ALA A 77 -7.545 -3.432 -2.029 1.00 1.00 C ATOM 1041 O ALA A 77 -8.684 -3.664 -2.461 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.105 -4.671 -0.130 1.00 1.00 C ATOM 0 H ALA A 77 -6.691 -2.498 0.269 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.401 -5.019 -1.306 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.730 -5.332 -0.731 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.720 -5.219 0.730 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.699 -3.824 0.215 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.793 -2.415 -2.454 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.230 -1.519 -3.431 1.00 1.00 C ATOM 1050 C ARG A 78 -6.400 -1.618 -4.610 1.00 1.00 C ATOM 1051 O ARG A 78 -5.361 -2.261 -4.569 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.167 -0.197 -2.849 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.074 -0.183 -1.582 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.314 1.201 -1.196 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.187 1.870 -2.181 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.502 2.076 -1.950 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.059 1.657 -0.839 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.226 2.689 -2.843 1.00 1.00 N ATOM 0 H ARG A 78 -5.856 -2.220 -2.101 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.250 -1.742 -3.745 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.140 0.054 -2.585 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.504 0.551 -3.566 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.018 -0.687 -1.787 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.594 -0.725 -0.767 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.777 1.234 -0.210 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.366 1.733 -1.121 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.785 2.186 -3.063 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.498 1.170 -0.139 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.053 1.818 -0.675 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.800 3.011 -3.712 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.219 2.847 -2.673 1.00 1.00 H new ATOM 1072 N THR A 79 -6.826 -0.991 -5.740 1.00 1.00 N ATOM 1073 CA THR A 79 -6.057 -1.079 -6.897 1.00 1.00 C ATOM 1074 C THR A 79 -6.164 0.049 -7.697 1.00 1.00 C ATOM 1075 O THR A 79 -6.758 0.003 -8.726 1.00 1.00 O ATOM 1076 CB THR A 79 -6.356 -2.350 -7.653 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.473 -3.432 -6.732 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.197 -2.622 -8.615 1.00 1.00 C ATOM 0 H THR A 79 -7.684 -0.445 -5.822 1.00 1.00 H new ATOM 0 HA THR A 79 -5.013 -1.122 -6.586 1.00 1.00 H new ATOM 0 HB THR A 79 -7.289 -2.249 -8.207 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.668 -4.258 -7.221 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.394 -3.538 -9.172 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.098 -1.789 -9.310 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.272 -2.733 -8.049 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.420 1.134 -7.219 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.262 2.352 -7.883 1.00 1.00 C ATOM 1088 C CYS A 80 -5.810 2.480 -9.173 1.00 1.00 C ATOM 1089 O CYS A 80 -5.195 3.045 -10.081 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.763 2.753 -7.882 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.599 4.405 -6.771 1.00 1.00 S ATOM 0 H CYS A 80 -4.929 1.105 -6.326 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.874 3.042 -7.302 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.150 1.951 -7.472 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.412 2.935 -8.898 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.198 0.194 -5.627 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.141 1.088 -4.629 1.00 1.00 C ATOM 1138 C PHE A 85 -4.564 1.626 -4.519 1.00 1.00 C ATOM 1139 O PHE A 85 -5.201 1.236 -3.697 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.019 2.101 -4.913 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.807 1.982 -3.901 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.101 0.781 -3.775 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.413 3.096 -3.140 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.988 0.693 -2.887 1.00 1.00 C ATOM 1145 CE2 PHE A 85 0.672 3.001 -2.255 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.367 1.801 -2.130 1.00 1.00 C ATOM 0 HA PHE A 85 -2.860 0.695 -3.652 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.653 1.954 -5.929 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.428 3.110 -4.865 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -0.392 -0.080 -4.359 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -0.948 4.029 -3.237 1.00 1.00 H new ATOM 0 HE1 PHE A 85 1.531 -0.235 -2.792 1.00 1.00 H new ATOM 0 HE2 PHE A 85 0.968 3.859 -1.670 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.200 1.728 -1.446 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.019 2.602 -5.316 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.496 3.179 -5.083 1.00 1.00 C ATOM 1158 C CYS A 86 -7.617 2.984 -6.109 1.00 1.00 C ATOM 1159 O CYS A 86 -7.605 3.458 -7.242 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.385 4.562 -4.825 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.556 5.304 -6.450 1.00 1.00 S ATOM 0 H CYS A 86 -4.497 3.026 -6.082 1.00 1.00 H new ATOM 0 HA CYS A 86 -6.842 2.544 -4.268 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.361 5.010 -4.638 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -5.772 4.753 -3.944 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.691 2.224 -5.573 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.852 1.905 -6.300 1.00 1.00 C ATOM 1168 C GLN A 87 -10.651 0.708 -5.662 1.00 1.00 C ATOM 1169 O GLN A 87 -11.881 0.691 -5.698 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.421 1.588 -7.726 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.290 0.498 -8.349 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.922 -0.888 -7.781 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.886 -1.040 -7.158 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.736 -1.897 -7.962 1.00 1.00 N ATOM 0 H GLN A 87 -8.692 1.857 -4.621 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.538 2.752 -6.284 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.479 2.491 -8.333 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.379 1.269 -7.729 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.341 0.709 -8.153 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.161 0.498 -9.431 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.602 -1.766 -8.484 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.504 -2.814 -7.581 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.955 -0.269 -5.171 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.630 -1.475 -4.614 1.00 1.00 C ATOM 1185 C GLY A 88 -11.422 -1.225 -3.321 1.00 1.00 C ATOM 1186 O GLY A 88 -12.409 -0.496 -3.322 1.00 1.00 O ATOM 0 H GLY A 88 -8.936 -0.289 -5.129 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.307 -1.877 -5.368 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.878 -2.240 -4.422 1.00 1.00 H new ATOM 1190 N THR A 89 -11.041 -1.962 -2.229 1.00 1.00 N ATOM 1191 CA THR A 89 -11.809 -1.927 -0.956 1.00 1.00 C ATOM 1192 C THR A 89 -11.041 -1.594 0.332 1.00 1.00 C ATOM 1193 O THR A 89 -11.363 -0.627 1.003 1.00 1.00 O ATOM 1194 CB THR A 89 -12.485 -3.380 -0.833 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.812 -3.306 -1.348 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.550 -3.903 0.661 1.00 1.00 C ATOM 0 H THR A 89 -10.224 -2.572 -2.211 1.00 1.00 H new ATOM 0 HA THR A 89 -12.508 -1.093 -1.025 1.00 1.00 H new ATOM 0 HB THR A 89 -11.869 -4.080 -1.398 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.238 -4.186 -1.282 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.016 -4.888 0.682 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.541 -3.970 1.067 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.138 -3.211 1.264 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.190 -2.463 0.705 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.501 -2.404 1.981 1.00 1.00 C ATOM 1206 C ALA A 90 -10.313 -3.304 2.923 1.00 1.00 C ATOM 1207 O ALA A 90 -11.484 -3.082 3.204 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.335 -1.035 2.563 1.00 1.00 C ATOM 0 H ALA A 90 -9.928 -3.267 0.135 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.472 -2.735 1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.808 -1.106 3.515 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.760 -0.415 1.875 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.315 -0.586 2.723 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.609 -4.260 3.416 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.180 -5.308 4.476 1.00 1.00 C ATOM 1216 C GLY A 91 -9.015 -6.052 5.580 1.00 1.00 C ATOM 1217 O GLY A 91 -9.429 -6.611 6.585 1.00 1.00 O ATOM 0 H GLY A 91 -8.633 -4.420 3.167 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.939 -4.805 5.074 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.683 -6.104 3.927 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.613 -5.932 5.320 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.442 -6.512 6.330 1.00 1.00 C ATOM 1223 C HIS A 92 -6.474 -8.006 6.654 1.00 1.00 C ATOM 1224 O HIS A 92 -7.508 -8.482 7.135 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.591 -5.776 7.778 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.499 -6.560 8.770 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.861 -6.321 8.880 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.221 -7.550 9.678 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.345 -7.152 9.824 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.385 -7.922 10.341 1.00 1.00 N ATOM 0 H HIS A 92 -7.241 -5.476 4.487 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.520 -6.316 5.782 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.602 -5.652 8.220 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.001 -4.777 7.631 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.399 -5.640 8.344 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.244 -7.977 9.852 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.381 -7.190 10.125 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.410 -8.778 6.433 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.500 -10.294 6.816 1.00 1.00 C ATOM 1241 C ALA A 93 -4.881 -10.513 8.204 1.00 1.00 C ATOM 1242 O ALA A 93 -3.725 -10.920 8.330 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.752 -11.266 5.756 1.00 1.00 C ATOM 0 H ALA A 93 -4.525 -8.470 6.030 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.559 -10.553 6.810 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.852 -12.302 6.079 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.205 -11.148 4.772 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.696 -11.002 5.703 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.676 -10.233 9.246 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.210 -10.401 10.633 1.00 1.00 C ATOM 1251 C ALA A 94 -4.455 -11.720 10.782 1.00 1.00 C ATOM 1252 O ALA A 94 -5.103 -12.726 11.029 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.432 -10.391 11.613 1.00 1.00 C ATOM 0 H ALA A 94 -6.634 -9.893 9.159 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.541 -9.575 10.876 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.079 -10.516 12.637 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.961 -9.442 11.525 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.108 -11.208 11.360 1.00 1.00 H new