USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 17 HIS :FLIP no HE2:sc= -1.46 F(o=-3!,f=-0.17) USER MOD Set 1.2: A 84 TYR OH : rot -164:sc= 1.3 USER MOD Single : A 5 ASN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -91:sc= 0.0174 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0358 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0661) USER MOD Single : A 15 TYR OH : rot 165:sc= -0.614 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.23) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.659) USER MOD Single : A 33 MET CE :methyl 146:sc= -0.138 (180deg=-0.941) USER MOD Single : A 48 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.76) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.0416 (180deg=-0.29) USER MOD Single : A 54 GLN : amide:sc= -0.983 K(o=-0.98,f=-4.2!) USER MOD Single : A 68 MET CE :methyl 138:sc= -4.26! (180deg=-7.85!) USER MOD Single : A 72 ASN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.974 USER MOD Single : A 88 THR OG1 : rot -28:sc= 0.186 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.227 K(o=0.23,f=-4.5!) USER MOD Single : A 103 MET CE :methyl -158:sc= -0.227 (180deg=-1.25) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -2.211 -3.398 14.438 1.00 0.00 N ATOM 54 CA ASN A 5 -3.003 -2.421 13.692 1.00 0.00 C ATOM 55 C ASN A 5 -2.084 -1.593 12.802 1.00 0.00 C ATOM 56 O ASN A 5 -2.537 -0.749 12.027 1.00 0.00 O ATOM 57 CB ASN A 5 -3.776 -1.488 14.635 1.00 0.00 C ATOM 58 CG ASN A 5 -5.000 -2.127 15.279 1.00 0.00 C ATOM 59 OD1 ASN A 5 -5.958 -1.436 15.633 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.988 -3.440 15.444 1.00 0.00 N ATOM 0 HA ASN A 5 -3.725 -2.965 13.083 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.103 -1.145 15.421 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.091 -0.606 14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.786 -3.907 15.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.181 -3.985 15.141 1.00 0.00 H new ATOM 67 N SER A 6 -0.786 -1.839 12.930 1.00 0.00 N ATOM 68 CA SER A 6 0.216 -1.118 12.162 1.00 0.00 C ATOM 69 C SER A 6 0.245 -1.619 10.722 1.00 0.00 C ATOM 70 O SER A 6 0.077 -2.816 10.471 1.00 0.00 O ATOM 71 CB SER A 6 1.588 -1.299 12.811 1.00 0.00 C ATOM 72 OG SER A 6 1.511 -1.104 14.214 1.00 0.00 O ATOM 0 H SER A 6 -0.402 -2.539 13.565 1.00 0.00 H new ATOM 0 HA SER A 6 -0.040 -0.058 12.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.967 -2.299 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.296 -0.591 12.379 1.00 0.00 H new ATOM 0 HG SER A 6 2.399 -1.226 14.610 1.00 0.00 H new ATOM 78 N PHE A 7 0.466 -0.709 9.780 1.00 0.00 N ATOM 79 CA PHE A 7 0.452 -1.061 8.368 1.00 0.00 C ATOM 80 C PHE A 7 1.569 -2.049 8.050 1.00 0.00 C ATOM 81 O PHE A 7 1.352 -3.020 7.329 1.00 0.00 O ATOM 82 CB PHE A 7 0.591 0.192 7.500 1.00 0.00 C ATOM 83 CG PHE A 7 0.311 -0.046 6.042 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.973 0.093 5.542 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.328 -0.407 5.172 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.240 -0.120 4.203 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.066 -0.623 3.833 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.219 -0.478 3.348 1.00 0.00 C ATOM 0 H PHE A 7 0.656 0.275 9.969 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.504 -1.534 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.091 0.957 7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.602 0.586 7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.777 0.372 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.335 -0.521 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.246 -0.006 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.866 -0.905 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.424 -0.645 2.301 1.00 0.00 H new ATOM 98 N SER A 8 2.755 -1.800 8.598 1.00 0.00 N ATOM 99 CA SER A 8 3.897 -2.687 8.407 1.00 0.00 C ATOM 100 C SER A 8 3.556 -4.130 8.783 1.00 0.00 C ATOM 101 O SER A 8 3.833 -5.066 8.023 1.00 0.00 O ATOM 102 CB SER A 8 5.080 -2.188 9.240 1.00 0.00 C ATOM 103 OG SER A 8 4.671 -1.854 10.559 1.00 0.00 O ATOM 0 H SER A 8 2.950 -0.986 9.181 1.00 0.00 H new ATOM 0 HA SER A 8 4.164 -2.676 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.852 -2.957 9.279 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.524 -1.315 8.761 1.00 0.00 H new ATOM 0 HG SER A 8 4.417 -0.908 10.593 1.00 0.00 H new ATOM 109 N ALA A 9 2.938 -4.296 9.947 1.00 0.00 N ATOM 110 CA ALA A 9 2.585 -5.616 10.456 1.00 0.00 C ATOM 111 C ALA A 9 1.568 -6.309 9.553 1.00 0.00 C ATOM 112 O ALA A 9 1.756 -7.465 9.162 1.00 0.00 O ATOM 113 CB ALA A 9 2.045 -5.504 11.875 1.00 0.00 C ATOM 0 H ALA A 9 2.669 -3.526 10.560 1.00 0.00 H new ATOM 0 HA ALA A 9 3.489 -6.225 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.785 -6.496 12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.806 -5.064 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.157 -4.871 11.878 1.00 0.00 H new ATOM 119 N ILE A 10 0.499 -5.594 9.217 1.00 0.00 N ATOM 120 CA ILE A 10 -0.566 -6.152 8.391 1.00 0.00 C ATOM 121 C ILE A 10 -0.060 -6.446 6.982 1.00 0.00 C ATOM 122 O ILE A 10 -0.391 -7.477 6.398 1.00 0.00 O ATOM 123 CB ILE A 10 -1.781 -5.200 8.327 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.290 -4.913 9.742 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.892 -5.799 7.473 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.417 -3.907 9.798 1.00 0.00 C ATOM 0 H ILE A 10 0.347 -4.627 9.504 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.885 -7.086 8.853 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.468 -4.264 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.627 -5.847 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.461 -4.548 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.738 -5.112 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.523 -5.966 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.211 -6.748 7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.721 -3.759 10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.079 -2.959 9.379 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.264 -4.277 9.221 1.00 0.00 H new ATOM 138 N TYR A 11 0.758 -5.543 6.453 1.00 0.00 N ATOM 139 CA TYR A 11 1.359 -5.722 5.137 1.00 0.00 C ATOM 140 C TYR A 11 2.191 -7.001 5.081 1.00 0.00 C ATOM 141 O TYR A 11 2.050 -7.798 4.153 1.00 0.00 O ATOM 142 CB TYR A 11 2.224 -4.508 4.780 1.00 0.00 C ATOM 143 CG TYR A 11 3.277 -4.795 3.736 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.926 -5.155 2.440 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.627 -4.721 4.055 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.892 -5.435 1.495 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.596 -4.995 3.114 1.00 0.00 C ATOM 148 CZ TYR A 11 5.223 -5.353 1.838 1.00 0.00 C ATOM 149 OH TYR A 11 6.186 -5.630 0.903 1.00 0.00 O ATOM 0 H TYR A 11 1.021 -4.675 6.919 1.00 0.00 H new ATOM 0 HA TYR A 11 0.555 -5.811 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.578 -3.707 4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.712 -4.143 5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.882 -5.216 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.922 -4.444 5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.606 -5.717 0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.642 -4.929 3.376 1.00 0.00 H new ATOM 0 HH TYR A 11 7.073 -5.525 1.306 1.00 0.00 H new ATOM 159 N LYS A 12 3.054 -7.196 6.074 1.00 0.00 N ATOM 160 CA LYS A 12 3.927 -8.363 6.094 1.00 0.00 C ATOM 161 C LYS A 12 3.108 -9.648 6.154 1.00 0.00 C ATOM 162 O LYS A 12 3.441 -10.636 5.497 1.00 0.00 O ATOM 163 CB LYS A 12 4.901 -8.302 7.275 1.00 0.00 C ATOM 164 CG LYS A 12 5.879 -9.467 7.305 1.00 0.00 C ATOM 165 CD LYS A 12 6.743 -9.502 6.052 1.00 0.00 C ATOM 166 CE LYS A 12 7.531 -10.800 5.945 1.00 0.00 C ATOM 167 NZ LYS A 12 8.387 -11.041 7.136 1.00 0.00 N ATOM 0 H LYS A 12 3.167 -6.566 6.869 1.00 0.00 H new ATOM 0 HA LYS A 12 4.507 -8.361 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.460 -7.368 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.334 -8.288 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.516 -9.386 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.328 -10.403 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.111 -9.387 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.433 -8.658 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.839 -11.633 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.155 -10.771 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.991 -11.871 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.984 -10.207 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.785 -11.214 7.967 1.00 0.00 H new ATOM 181 N GLU A 13 2.031 -9.628 6.928 1.00 0.00 N ATOM 182 CA GLU A 13 1.163 -10.790 7.036 1.00 0.00 C ATOM 183 C GLU A 13 0.445 -11.029 5.713 1.00 0.00 C ATOM 184 O GLU A 13 0.453 -12.142 5.184 1.00 0.00 O ATOM 185 CB GLU A 13 0.143 -10.609 8.158 1.00 0.00 C ATOM 186 CG GLU A 13 -0.592 -11.893 8.502 1.00 0.00 C ATOM 187 CD GLU A 13 -1.782 -11.669 9.407 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.594 -11.161 10.531 1.00 0.00 O ATOM 189 OE2 GLU A 13 -2.910 -12.005 8.996 1.00 0.00 O ATOM 0 H GLU A 13 1.740 -8.825 7.486 1.00 0.00 H new ATOM 0 HA GLU A 13 1.781 -11.656 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.651 -10.238 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.581 -9.849 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.928 -12.371 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.100 -12.583 8.985 1.00 0.00 H new ATOM 196 N TRP A 14 -0.160 -9.970 5.183 1.00 0.00 N ATOM 197 CA TRP A 14 -0.854 -10.027 3.902 1.00 0.00 C ATOM 198 C TRP A 14 0.046 -10.622 2.824 1.00 0.00 C ATOM 199 O TRP A 14 -0.362 -11.525 2.087 1.00 0.00 O ATOM 200 CB TRP A 14 -1.315 -8.622 3.496 1.00 0.00 C ATOM 201 CG TRP A 14 -1.793 -8.527 2.078 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.970 -8.995 1.571 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.099 -7.916 0.986 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.046 -8.718 0.228 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.910 -8.055 -0.154 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.132 -7.266 0.862 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.531 -7.565 -1.401 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.508 -6.782 -0.377 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.321 -6.935 -1.494 1.00 0.00 C ATOM 0 H TRP A 14 -0.183 -9.052 5.628 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.727 -10.671 4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.118 -8.307 4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.490 -7.924 3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.730 -9.508 2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.822 -8.966 -0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.778 -7.144 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.170 -7.679 -2.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.457 -6.278 -0.485 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.002 -6.548 -2.449 1.00 0.00 H new ATOM 220 N TYR A 15 1.276 -10.126 2.759 1.00 0.00 N ATOM 221 CA TYR A 15 2.251 -10.611 1.798 1.00 0.00 C ATOM 222 C TYR A 15 2.486 -12.109 1.958 1.00 0.00 C ATOM 223 O TYR A 15 2.429 -12.848 0.986 1.00 0.00 O ATOM 224 CB TYR A 15 3.574 -9.853 1.943 1.00 0.00 C ATOM 225 CG TYR A 15 4.714 -10.481 1.170 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.634 -10.656 -0.207 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.864 -10.916 1.821 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.667 -11.242 -0.912 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.900 -11.503 1.121 1.00 0.00 C ATOM 230 CZ TYR A 15 6.797 -11.663 -0.244 1.00 0.00 C ATOM 231 OH TYR A 15 7.829 -12.248 -0.945 1.00 0.00 O ATOM 0 H TYR A 15 1.621 -9.383 3.367 1.00 0.00 H new ATOM 0 HA TYR A 15 1.850 -10.433 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.436 -8.827 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.843 -9.805 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.750 -10.328 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.948 -10.793 2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.590 -11.370 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.787 -11.835 1.641 1.00 0.00 H new ATOM 0 HH TYR A 15 8.634 -12.269 -0.386 1.00 0.00 H new ATOM 241 N GLU A 16 2.727 -12.552 3.186 1.00 0.00 N ATOM 242 CA GLU A 16 3.044 -13.953 3.446 1.00 0.00 C ATOM 243 C GLU A 16 1.862 -14.874 3.144 1.00 0.00 C ATOM 244 O GLU A 16 2.054 -16.047 2.821 1.00 0.00 O ATOM 245 CB GLU A 16 3.511 -14.130 4.888 1.00 0.00 C ATOM 246 CG GLU A 16 4.924 -13.623 5.120 1.00 0.00 C ATOM 247 CD GLU A 16 5.968 -14.483 4.440 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.996 -15.706 4.697 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.773 -13.942 3.658 1.00 0.00 O ATOM 0 H GLU A 16 2.709 -11.962 4.018 1.00 0.00 H new ATOM 0 HA GLU A 16 3.853 -14.238 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.828 -13.602 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.462 -15.186 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.005 -12.600 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.124 -13.593 6.191 1.00 0.00 H new ATOM 256 N HIS A 17 0.647 -14.347 3.237 1.00 0.00 N ATOM 257 CA HIS A 17 -0.538 -15.122 2.880 1.00 0.00 C ATOM 258 C HIS A 17 -0.663 -15.237 1.364 1.00 0.00 C ATOM 259 O HIS A 17 -0.732 -16.339 0.814 1.00 0.00 O ATOM 260 CB HIS A 17 -1.815 -14.497 3.457 1.00 0.00 C ATOM 261 CG HIS A 17 -2.013 -14.727 4.927 1.00 0.00 C ATOM 262 ND1 HIS A 17 -1.641 -13.989 5.996 1.00 0.00 N flip ATOM 263 CD2 HIS A 17 -2.697 -15.809 5.436 1.00 0.00 C flip ATOM 264 CE1 HIS A 17 -2.103 -14.623 7.121 1.00 0.00 C flip ATOM 265 NE2 HIS A 17 -2.736 -15.720 6.753 1.00 0.00 N flip ATOM 0 H HIS A 17 0.456 -13.396 3.553 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.420 -16.116 3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.795 -13.423 3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.675 -14.898 2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.112 -13.117 5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.133 -16.605 4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.971 -14.282 8.137 1.00 0.00 H new ATOM 274 N LYS A 18 -0.652 -14.093 0.688 1.00 0.00 N ATOM 275 CA LYS A 18 -0.831 -14.055 -0.760 1.00 0.00 C ATOM 276 C LYS A 18 0.432 -14.558 -1.462 1.00 0.00 C ATOM 277 O LYS A 18 0.442 -14.784 -2.674 1.00 0.00 O ATOM 278 CB LYS A 18 -1.164 -12.631 -1.213 1.00 0.00 C ATOM 279 CG LYS A 18 -1.952 -12.574 -2.510 1.00 0.00 C ATOM 280 CD LYS A 18 -3.344 -13.159 -2.334 1.00 0.00 C ATOM 281 CE LYS A 18 -4.094 -13.239 -3.654 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.443 -13.843 -3.488 1.00 0.00 N ATOM 0 H LYS A 18 -0.521 -13.178 1.120 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.661 -14.708 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.735 -12.133 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.237 -12.072 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.029 -11.540 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.419 -13.123 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.267 -14.155 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.909 -12.547 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.193 -12.239 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.516 -13.830 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.923 -13.880 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.348 -14.807 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.003 -13.265 -2.829 1.00 0.00 H new ATOM 296 N LYS A 19 1.487 -14.735 -0.670 1.00 0.00 N ATOM 297 CA LYS A 19 2.770 -15.260 -1.134 1.00 0.00 C ATOM 298 C LYS A 19 2.591 -16.633 -1.771 1.00 0.00 C ATOM 299 O LYS A 19 3.354 -17.030 -2.649 1.00 0.00 O ATOM 300 CB LYS A 19 3.722 -15.380 0.061 1.00 0.00 C ATOM 301 CG LYS A 19 5.195 -15.239 -0.276 1.00 0.00 C ATOM 302 CD LYS A 19 6.050 -15.490 0.950 1.00 0.00 C ATOM 303 CE LYS A 19 7.510 -15.166 0.696 1.00 0.00 C ATOM 304 NZ LYS A 19 8.315 -15.264 1.941 1.00 0.00 N ATOM 0 H LYS A 19 1.475 -14.515 0.326 1.00 0.00 H new ATOM 0 HA LYS A 19 3.181 -14.579 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.458 -14.618 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.564 -16.348 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.463 -15.944 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.391 -14.239 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.683 -14.885 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.956 -16.534 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.911 -15.850 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.594 -14.160 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.140 -14.634 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.732 -14.982 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.638 -16.244 2.069 1.00 0.00 H new ATOM 318 N GLN A 20 1.575 -17.354 -1.313 1.00 0.00 N ATOM 319 CA GLN A 20 1.305 -18.698 -1.800 1.00 0.00 C ATOM 320 C GLN A 20 0.625 -18.660 -3.167 1.00 0.00 C ATOM 321 O GLN A 20 0.613 -19.651 -3.896 1.00 0.00 O ATOM 322 CB GLN A 20 0.423 -19.440 -0.798 1.00 0.00 C ATOM 323 CG GLN A 20 1.049 -19.574 0.582 1.00 0.00 C ATOM 324 CD GLN A 20 0.116 -20.226 1.581 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.104 -20.088 1.495 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.683 -20.942 2.536 1.00 0.00 N ATOM 0 H GLN A 20 0.922 -17.027 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 20 2.254 -19.223 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.529 -18.916 -0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.204 -20.435 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.964 -20.162 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.333 -18.587 0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.698 -21.031 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.105 -21.405 3.237 1.00 0.00 H new ATOM 335 N VAL A 21 0.068 -17.509 -3.513 1.00 0.00 N ATOM 336 CA VAL A 21 -0.648 -17.361 -4.768 1.00 0.00 C ATOM 337 C VAL A 21 0.295 -16.922 -5.879 1.00 0.00 C ATOM 338 O VAL A 21 0.303 -17.502 -6.967 1.00 0.00 O ATOM 339 CB VAL A 21 -1.803 -16.346 -4.640 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.542 -16.192 -5.960 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.763 -16.772 -3.542 1.00 0.00 C ATOM 0 H VAL A 21 0.099 -16.665 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.068 -18.335 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.376 -15.378 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.351 -15.471 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.850 -15.839 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.955 -17.155 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.572 -16.046 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.177 -17.752 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.230 -16.824 -2.593 1.00 0.00 H new ATOM 351 N TRP A 22 1.095 -15.910 -5.595 1.00 0.00 N ATOM 352 CA TRP A 22 2.017 -15.369 -6.582 1.00 0.00 C ATOM 353 C TRP A 22 3.278 -16.214 -6.643 1.00 0.00 C ATOM 354 O TRP A 22 3.628 -16.883 -5.672 1.00 0.00 O ATOM 355 CB TRP A 22 2.394 -13.923 -6.245 1.00 0.00 C ATOM 356 CG TRP A 22 1.219 -13.011 -6.075 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.028 -13.068 -6.737 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.137 -11.890 -5.192 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.795 -12.056 -6.309 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.135 -11.316 -5.363 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.019 -11.318 -4.270 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.549 -10.196 -4.644 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.607 -10.208 -3.558 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.335 -9.657 -3.749 1.00 0.00 C ATOM 0 H TRP A 22 1.126 -15.444 -4.688 1.00 0.00 H new ATOM 0 HA TRP A 22 1.518 -15.387 -7.551 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.982 -13.916 -5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.033 -13.531 -7.036 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.230 -13.801 -7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.744 -11.883 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.003 -11.736 -4.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.531 -9.769 -4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.278 -9.758 -2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.045 -8.788 -3.178 1.00 0.00 H new ATOM 375 N SER A 23 3.945 -16.194 -7.785 1.00 0.00 N ATOM 376 CA SER A 23 5.224 -16.864 -7.924 1.00 0.00 C ATOM 377 C SER A 23 6.251 -16.186 -7.023 1.00 0.00 C ATOM 378 O SER A 23 6.277 -14.956 -6.935 1.00 0.00 O ATOM 379 CB SER A 23 5.672 -16.838 -9.388 1.00 0.00 C ATOM 380 OG SER A 23 5.612 -15.524 -9.925 1.00 0.00 O ATOM 0 H SER A 23 3.621 -15.721 -8.628 1.00 0.00 H new ATOM 0 HA SER A 23 5.129 -17.906 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.691 -17.218 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.039 -17.502 -9.976 1.00 0.00 H new ATOM 0 HG SER A 23 5.905 -15.539 -10.860 1.00 0.00 H new ATOM 386 N VAL A 24 7.083 -16.982 -6.351 1.00 0.00 N ATOM 387 CA VAL A 24 8.019 -16.456 -5.360 1.00 0.00 C ATOM 388 C VAL A 24 8.894 -15.345 -5.942 1.00 0.00 C ATOM 389 O VAL A 24 9.158 -14.351 -5.271 1.00 0.00 O ATOM 390 CB VAL A 24 8.907 -17.573 -4.751 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.758 -18.258 -5.811 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.779 -17.022 -3.630 1.00 0.00 C ATOM 0 H VAL A 24 7.127 -17.993 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 24 7.413 -16.031 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 24 8.241 -18.326 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.365 -19.034 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.110 -18.708 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.409 -17.524 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.392 -17.824 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.424 -16.237 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.145 -16.611 -2.844 1.00 0.00 H new ATOM 402 N GLY A 25 9.303 -15.497 -7.198 1.00 0.00 N ATOM 403 CA GLY A 25 10.137 -14.491 -7.830 1.00 0.00 C ATOM 404 C GLY A 25 9.449 -13.142 -7.902 1.00 0.00 C ATOM 405 O GLY A 25 10.022 -12.113 -7.526 1.00 0.00 O ATOM 0 H GLY A 25 9.072 -16.297 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.069 -14.393 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.399 -14.818 -8.836 1.00 0.00 H new ATOM 409 N TYR A 26 8.210 -13.150 -8.371 1.00 0.00 N ATOM 410 CA TYR A 26 7.431 -11.928 -8.485 1.00 0.00 C ATOM 411 C TYR A 26 6.991 -11.442 -7.110 1.00 0.00 C ATOM 412 O TYR A 26 6.950 -10.240 -6.856 1.00 0.00 O ATOM 413 CB TYR A 26 6.213 -12.149 -9.385 1.00 0.00 C ATOM 414 CG TYR A 26 5.356 -10.914 -9.555 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.869 -9.769 -10.151 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.038 -10.892 -9.115 1.00 0.00 C ATOM 417 CE1 TYR A 26 5.093 -8.636 -10.303 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.254 -9.764 -9.266 1.00 0.00 C ATOM 419 CZ TYR A 26 3.787 -8.639 -9.860 1.00 0.00 C ATOM 420 OH TYR A 26 3.013 -7.511 -10.020 1.00 0.00 O ATOM 0 H TYR A 26 7.723 -13.991 -8.679 1.00 0.00 H new ATOM 0 HA TYR A 26 8.062 -11.162 -8.937 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.552 -12.484 -10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.603 -12.950 -8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.891 -9.764 -10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.619 -11.771 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.507 -7.753 -10.766 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.231 -9.763 -8.921 1.00 0.00 H new ATOM 0 HH TYR A 26 2.117 -7.675 -9.657 1.00 0.00 H new ATOM 430 N ALA A 27 6.672 -12.380 -6.227 1.00 0.00 N ATOM 431 CA ALA A 27 6.256 -12.048 -4.872 1.00 0.00 C ATOM 432 C ALA A 27 7.343 -11.262 -4.152 1.00 0.00 C ATOM 433 O ALA A 27 7.067 -10.236 -3.532 1.00 0.00 O ATOM 434 CB ALA A 27 5.903 -13.308 -4.094 1.00 0.00 C ATOM 0 H ALA A 27 6.694 -13.380 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 27 5.366 -11.422 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.595 -13.038 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.087 -13.829 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.774 -13.961 -4.045 1.00 0.00 H new ATOM 440 N THR A 28 8.582 -11.739 -4.242 1.00 0.00 N ATOM 441 CA THR A 28 9.714 -11.042 -3.648 1.00 0.00 C ATOM 442 C THR A 28 9.854 -9.639 -4.238 1.00 0.00 C ATOM 443 O THR A 28 10.045 -8.664 -3.511 1.00 0.00 O ATOM 444 CB THR A 28 11.027 -11.818 -3.870 1.00 0.00 C ATOM 445 OG1 THR A 28 10.868 -13.181 -3.453 1.00 0.00 O ATOM 446 CG2 THR A 28 12.173 -11.182 -3.095 1.00 0.00 C ATOM 0 H THR A 28 8.825 -12.606 -4.721 1.00 0.00 H new ATOM 0 HA THR A 28 9.524 -10.969 -2.577 1.00 0.00 H new ATOM 0 HB THR A 28 11.264 -11.785 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.355 -13.672 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.088 -11.748 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.313 -10.154 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.939 -11.187 -2.030 1.00 0.00 H new ATOM 454 N GLU A 29 9.732 -9.544 -5.557 1.00 0.00 N ATOM 455 CA GLU A 29 9.883 -8.270 -6.250 1.00 0.00 C ATOM 456 C GLU A 29 8.764 -7.297 -5.879 1.00 0.00 C ATOM 457 O GLU A 29 9.027 -6.139 -5.555 1.00 0.00 O ATOM 458 CB GLU A 29 9.913 -8.493 -7.762 1.00 0.00 C ATOM 459 CG GLU A 29 10.126 -7.219 -8.560 1.00 0.00 C ATOM 460 CD GLU A 29 10.386 -7.496 -10.021 1.00 0.00 C ATOM 461 OE1 GLU A 29 11.565 -7.703 -10.385 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.423 -7.513 -10.810 1.00 0.00 O ATOM 0 H GLU A 29 9.529 -10.335 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 29 10.828 -7.826 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.708 -9.199 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.975 -8.953 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.247 -6.581 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.968 -6.667 -8.142 1.00 0.00 H new ATOM 469 N LEU A 30 7.525 -7.777 -5.917 1.00 0.00 N ATOM 470 CA LEU A 30 6.368 -6.958 -5.567 1.00 0.00 C ATOM 471 C LEU A 30 6.507 -6.441 -4.142 1.00 0.00 C ATOM 472 O LEU A 30 6.257 -5.263 -3.869 1.00 0.00 O ATOM 473 CB LEU A 30 5.072 -7.776 -5.730 1.00 0.00 C ATOM 474 CG LEU A 30 3.752 -7.032 -5.452 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.608 -7.690 -6.206 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.432 -7.012 -3.961 1.00 0.00 C ATOM 0 H LEU A 30 7.295 -8.733 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 30 6.319 -6.102 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.038 -8.163 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.126 -8.637 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 30 3.872 -6.004 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.681 -7.154 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.814 -7.662 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.507 -8.726 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.495 -6.480 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.338 -8.035 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.235 -6.507 -3.423 1.00 0.00 H new ATOM 488 N ALA A 31 6.916 -7.328 -3.245 1.00 0.00 N ATOM 489 CA ALA A 31 7.095 -6.976 -1.847 1.00 0.00 C ATOM 490 C ALA A 31 8.230 -5.981 -1.675 1.00 0.00 C ATOM 491 O ALA A 31 8.076 -4.968 -1.006 1.00 0.00 O ATOM 492 CB ALA A 31 7.360 -8.218 -1.013 1.00 0.00 C ATOM 0 H ALA A 31 7.130 -8.301 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 31 6.173 -6.509 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.491 -7.934 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.515 -8.901 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.264 -8.711 -1.371 1.00 0.00 H new ATOM 498 N LYS A 32 9.367 -6.260 -2.293 1.00 0.00 N ATOM 499 CA LYS A 32 10.530 -5.402 -2.143 1.00 0.00 C ATOM 500 C LYS A 32 10.268 -4.022 -2.739 1.00 0.00 C ATOM 501 O LYS A 32 10.713 -3.017 -2.197 1.00 0.00 O ATOM 502 CB LYS A 32 11.765 -6.032 -2.783 1.00 0.00 C ATOM 503 CG LYS A 32 13.054 -5.412 -2.286 1.00 0.00 C ATOM 504 CD LYS A 32 14.277 -6.023 -2.941 1.00 0.00 C ATOM 505 CE LYS A 32 15.548 -5.468 -2.322 1.00 0.00 C ATOM 506 NZ LYS A 32 15.557 -3.981 -2.328 1.00 0.00 N ATOM 0 H LYS A 32 9.508 -7.068 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 32 10.721 -5.287 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.775 -7.101 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.706 -5.921 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.038 -4.340 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.122 -5.538 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.254 -7.107 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.266 -5.814 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.642 -5.829 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.413 -5.840 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.521 -3.639 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.242 -3.636 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.915 -3.627 -1.591 1.00 0.00 H new ATOM 520 N MET A 33 9.536 -3.974 -3.847 1.00 0.00 N ATOM 521 CA MET A 33 9.155 -2.698 -4.442 1.00 0.00 C ATOM 522 C MET A 33 8.258 -1.926 -3.480 1.00 0.00 C ATOM 523 O MET A 33 8.432 -0.723 -3.266 1.00 0.00 O ATOM 524 CB MET A 33 8.435 -2.909 -5.779 1.00 0.00 C ATOM 525 CG MET A 33 8.048 -1.611 -6.473 1.00 0.00 C ATOM 526 SD MET A 33 7.166 -1.880 -8.026 1.00 0.00 S ATOM 527 CE MET A 33 5.693 -2.723 -7.451 1.00 0.00 C ATOM 0 H MET A 33 9.197 -4.796 -4.347 1.00 0.00 H new ATOM 0 HA MET A 33 10.061 -2.122 -4.632 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.079 -3.488 -6.442 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.537 -3.502 -5.609 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.423 -1.020 -5.804 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.947 -1.027 -6.668 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.844 -2.438 -8.073 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.843 -3.801 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.495 -2.444 -6.416 1.00 0.00 H new ATOM 537 N PHE A 34 7.308 -2.641 -2.889 1.00 0.00 N ATOM 538 CA PHE A 34 6.400 -2.061 -1.913 1.00 0.00 C ATOM 539 C PHE A 34 7.193 -1.571 -0.703 1.00 0.00 C ATOM 540 O PHE A 34 7.049 -0.437 -0.275 1.00 0.00 O ATOM 541 CB PHE A 34 5.369 -3.116 -1.484 1.00 0.00 C ATOM 542 CG PHE A 34 4.193 -2.573 -0.719 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.339 -2.113 0.580 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.934 -2.529 -1.301 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.259 -1.620 1.282 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.848 -2.039 -0.602 1.00 0.00 C ATOM 547 CZ PHE A 34 2.011 -1.583 0.690 1.00 0.00 C ATOM 0 H PHE A 34 7.148 -3.631 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 34 5.877 -1.214 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.001 -3.627 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.870 -3.865 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.311 -2.141 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.802 -2.882 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.389 -1.263 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.873 -2.013 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.164 -1.198 1.238 1.00 0.00 H new ATOM 557 N ASP A 35 8.050 -2.428 -0.181 1.00 0.00 N ATOM 558 CA ASP A 35 8.817 -2.112 1.015 1.00 0.00 C ATOM 559 C ASP A 35 9.816 -0.978 0.764 1.00 0.00 C ATOM 560 O ASP A 35 9.805 0.025 1.466 1.00 0.00 O ATOM 561 CB ASP A 35 9.541 -3.363 1.515 1.00 0.00 C ATOM 562 CG ASP A 35 10.294 -3.136 2.807 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.430 -2.627 2.755 1.00 0.00 O ATOM 564 OD2 ASP A 35 9.765 -3.500 3.879 1.00 0.00 O ATOM 0 H ASP A 35 8.235 -3.354 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 35 8.121 -1.769 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.814 -4.162 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.239 -3.702 0.749 1.00 0.00 H new ATOM 569 N ASP A 36 10.647 -1.116 -0.259 1.00 0.00 N ATOM 570 CA ASP A 36 11.714 -0.142 -0.513 1.00 0.00 C ATOM 571 C ASP A 36 11.180 1.266 -0.779 1.00 0.00 C ATOM 572 O ASP A 36 11.847 2.252 -0.455 1.00 0.00 O ATOM 573 CB ASP A 36 12.600 -0.585 -1.682 1.00 0.00 C ATOM 574 CG ASP A 36 13.827 -1.360 -1.231 1.00 0.00 C ATOM 575 OD1 ASP A 36 13.720 -2.581 -0.997 1.00 0.00 O ATOM 576 OD2 ASP A 36 14.915 -0.750 -1.129 1.00 0.00 O ATOM 0 H ASP A 36 10.609 -1.886 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 36 12.309 -0.103 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.014 -1.204 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.917 0.293 -2.245 1.00 0.00 H new ATOM 581 N ASP A 37 9.993 1.377 -1.368 1.00 0.00 N ATOM 582 CA ASP A 37 9.437 2.694 -1.677 1.00 0.00 C ATOM 583 C ASP A 37 8.351 3.123 -0.688 1.00 0.00 C ATOM 584 O ASP A 37 8.332 4.267 -0.245 1.00 0.00 O ATOM 585 CB ASP A 37 8.874 2.733 -3.102 1.00 0.00 C ATOM 586 CG ASP A 37 9.951 2.874 -4.162 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.578 3.954 -4.246 1.00 0.00 O ATOM 588 OD2 ASP A 37 10.171 1.915 -4.930 1.00 0.00 O ATOM 0 H ASP A 37 9.405 0.588 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 37 10.264 3.399 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.307 1.821 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.176 3.566 -3.188 1.00 0.00 H new ATOM 593 N ILE A 38 7.460 2.206 -0.336 1.00 0.00 N ATOM 594 CA ILE A 38 6.261 2.549 0.428 1.00 0.00 C ATOM 595 C ILE A 38 6.488 2.454 1.938 1.00 0.00 C ATOM 596 O ILE A 38 5.929 3.241 2.710 1.00 0.00 O ATOM 597 CB ILE A 38 5.085 1.625 0.035 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.944 1.579 -1.493 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.789 2.083 0.690 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.751 0.789 -1.986 1.00 0.00 C ATOM 0 H ILE A 38 7.542 1.216 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 38 6.021 3.584 0.184 1.00 0.00 H new ATOM 0 HB ILE A 38 5.297 0.618 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.870 2.599 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.851 1.147 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.978 1.416 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.902 2.063 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.558 3.099 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.727 0.808 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.831 -0.242 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.835 1.232 -1.595 1.00 0.00 H new ATOM 612 N LEU A 39 7.318 1.506 2.357 1.00 0.00 N ATOM 613 CA LEU A 39 7.542 1.253 3.782 1.00 0.00 C ATOM 614 C LEU A 39 8.131 2.486 4.496 1.00 0.00 C ATOM 615 O LEU A 39 7.642 2.862 5.557 1.00 0.00 O ATOM 616 CB LEU A 39 8.443 0.022 3.966 1.00 0.00 C ATOM 617 CG LEU A 39 8.173 -0.846 5.201 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.665 -0.169 6.467 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.690 -1.177 5.312 1.00 0.00 C ATOM 0 H LEU A 39 7.849 0.898 1.733 1.00 0.00 H new ATOM 0 HA LEU A 39 6.576 1.050 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.347 -0.606 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.478 0.360 4.007 1.00 0.00 H new ATOM 0 HG LEU A 39 8.727 -1.777 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.459 -0.809 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.738 0.005 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.151 0.784 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.520 -1.793 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.117 -0.254 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.371 -1.721 4.423 1.00 0.00 H new ATOM 631 N PRO A 40 9.170 3.154 3.937 1.00 0.00 N ATOM 632 CA PRO A 40 9.738 4.364 4.552 1.00 0.00 C ATOM 633 C PRO A 40 8.776 5.556 4.528 1.00 0.00 C ATOM 634 O PRO A 40 9.076 6.616 5.082 1.00 0.00 O ATOM 635 CB PRO A 40 10.976 4.671 3.697 1.00 0.00 C ATOM 636 CG PRO A 40 11.240 3.429 2.918 1.00 0.00 C ATOM 637 CD PRO A 40 9.903 2.786 2.713 1.00 0.00 C ATOM 0 HA PRO A 40 9.959 4.198 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.796 5.518 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.830 4.931 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.714 3.659 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.915 2.765 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.408 3.161 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.987 1.705 2.602 1.00 0.00 H new ATOM 645 N ILE A 41 7.629 5.388 3.883 1.00 0.00 N ATOM 646 CA ILE A 41 6.640 6.453 3.797 1.00 0.00 C ATOM 647 C ILE A 41 5.522 6.246 4.814 1.00 0.00 C ATOM 648 O ILE A 41 5.283 7.104 5.665 1.00 0.00 O ATOM 649 CB ILE A 41 6.026 6.556 2.382 1.00 0.00 C ATOM 650 CG1 ILE A 41 7.116 6.730 1.317 1.00 0.00 C ATOM 651 CG2 ILE A 41 5.040 7.716 2.317 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.851 8.051 1.396 1.00 0.00 C ATOM 0 H ILE A 41 7.361 4.524 3.412 1.00 0.00 H new ATOM 0 HA ILE A 41 7.164 7.383 4.017 1.00 0.00 H new ATOM 0 HB ILE A 41 5.496 5.626 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.837 5.919 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.663 6.637 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.615 7.777 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.241 7.555 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.558 8.647 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.605 8.096 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.143 8.870 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.336 8.140 2.368 1.00 0.00 H new ATOM 664 N ILE A 42 4.838 5.108 4.732 1.00 0.00 N ATOM 665 CA ILE A 42 3.692 4.857 5.603 1.00 0.00 C ATOM 666 C ILE A 42 3.823 3.548 6.371 1.00 0.00 C ATOM 667 O ILE A 42 2.880 3.124 7.038 1.00 0.00 O ATOM 668 CB ILE A 42 2.367 4.805 4.818 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.371 3.631 3.841 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.123 6.114 4.083 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.984 3.149 3.498 1.00 0.00 C ATOM 0 H ILE A 42 5.053 4.353 4.080 1.00 0.00 H new ATOM 0 HA ILE A 42 3.680 5.694 6.301 1.00 0.00 H new ATOM 0 HB ILE A 42 1.554 4.659 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.884 3.928 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.940 2.808 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.182 6.054 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.073 6.931 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.939 6.296 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.051 2.314 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.477 2.823 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.420 3.961 3.039 1.00 0.00 H new ATOM 683 N GLY A 43 4.985 2.917 6.289 1.00 0.00 N ATOM 684 CA GLY A 43 5.170 1.623 6.921 1.00 0.00 C ATOM 685 C GLY A 43 4.985 1.681 8.421 1.00 0.00 C ATOM 686 O GLY A 43 4.353 0.804 9.015 1.00 0.00 O ATOM 0 H GLY A 43 5.803 3.276 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.462 0.911 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.169 1.251 6.695 1.00 0.00 H new ATOM 690 N GLY A 44 5.521 2.729 9.029 1.00 0.00 N ATOM 691 CA GLY A 44 5.422 2.890 10.463 1.00 0.00 C ATOM 692 C GLY A 44 4.097 3.480 10.901 1.00 0.00 C ATOM 693 O GLY A 44 3.882 3.706 12.094 1.00 0.00 O ATOM 0 H GLY A 44 6.026 3.475 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.558 1.921 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.232 3.533 10.808 1.00 0.00 H new ATOM 697 N LEU A 45 3.204 3.728 9.952 1.00 0.00 N ATOM 698 CA LEU A 45 1.908 4.294 10.272 1.00 0.00 C ATOM 699 C LEU A 45 0.909 3.182 10.556 1.00 0.00 C ATOM 700 O LEU A 45 1.039 2.069 10.041 1.00 0.00 O ATOM 701 CB LEU A 45 1.410 5.172 9.119 1.00 0.00 C ATOM 702 CG LEU A 45 2.258 6.414 8.828 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.857 7.035 7.500 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.115 7.435 9.948 1.00 0.00 C ATOM 0 H LEU A 45 3.356 3.546 8.960 1.00 0.00 H new ATOM 0 HA LEU A 45 2.007 4.915 11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.364 4.564 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.392 5.491 9.341 1.00 0.00 H new ATOM 0 HG LEU A 45 3.302 6.106 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.470 7.916 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.006 6.310 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.807 7.325 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.725 8.310 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.071 7.734 10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.447 6.993 10.888 1.00 0.00 H new ATOM 716 N GLU A 46 -0.078 3.471 11.384 1.00 0.00 N ATOM 717 CA GLU A 46 -1.118 2.504 11.673 1.00 0.00 C ATOM 718 C GLU A 46 -2.170 2.565 10.585 1.00 0.00 C ATOM 719 O GLU A 46 -2.463 3.637 10.063 1.00 0.00 O ATOM 720 CB GLU A 46 -1.748 2.750 13.044 1.00 0.00 C ATOM 721 CG GLU A 46 -0.808 2.468 14.204 1.00 0.00 C ATOM 722 CD GLU A 46 -1.512 2.517 15.543 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.118 1.499 15.935 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.475 3.574 16.205 1.00 0.00 O ATOM 0 H GLU A 46 -0.180 4.364 11.866 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.673 1.509 11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.081 3.786 13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.635 2.124 13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.355 1.485 14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.003 3.196 14.196 1.00 0.00 H new ATOM 731 N ILE A 47 -2.742 1.422 10.252 1.00 0.00 N ATOM 732 CA ILE A 47 -3.649 1.322 9.117 1.00 0.00 C ATOM 733 C ILE A 47 -4.918 2.148 9.343 1.00 0.00 C ATOM 734 O ILE A 47 -5.635 2.484 8.403 1.00 0.00 O ATOM 735 CB ILE A 47 -4.003 -0.153 8.833 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.530 -0.301 7.407 1.00 0.00 C ATOM 737 CG2 ILE A 47 -5.024 -0.671 9.840 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.562 -1.729 6.917 1.00 0.00 C ATOM 0 H ILE A 47 -2.595 0.545 10.752 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.138 1.730 8.245 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.098 -0.751 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.537 0.114 7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.907 0.290 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.257 -1.713 9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.612 -0.597 10.846 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.934 -0.074 9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.947 -1.755 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.554 -2.142 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.208 -2.321 7.565 1.00 0.00 H new ATOM 750 N GLN A 48 -5.169 2.492 10.598 1.00 0.00 N ATOM 751 CA GLN A 48 -6.323 3.302 10.959 1.00 0.00 C ATOM 752 C GLN A 48 -5.915 4.758 11.169 1.00 0.00 C ATOM 753 O GLN A 48 -6.732 5.584 11.568 1.00 0.00 O ATOM 754 CB GLN A 48 -6.956 2.772 12.248 1.00 0.00 C ATOM 755 CG GLN A 48 -7.457 1.339 12.162 1.00 0.00 C ATOM 756 CD GLN A 48 -8.038 0.858 13.478 1.00 0.00 C ATOM 757 OE1 GLN A 48 -7.608 1.284 14.548 1.00 0.00 O ATOM 758 NE2 GLN A 48 -9.022 -0.027 13.414 1.00 0.00 N ATOM 0 H GLN A 48 -4.584 2.220 11.388 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.044 3.245 10.143 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.223 2.840 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.790 3.419 12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.216 1.267 11.383 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.636 0.685 11.868 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.352 -0.358 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.449 -0.378 14.271 1.00 0.00 H new ATOM 767 N ASP A 49 -4.652 5.068 10.898 1.00 0.00 N ATOM 768 CA ASP A 49 -4.097 6.369 11.259 1.00 0.00 C ATOM 769 C ASP A 49 -3.234 6.951 10.132 1.00 0.00 C ATOM 770 O ASP A 49 -2.604 7.994 10.293 1.00 0.00 O ATOM 771 CB ASP A 49 -3.272 6.206 12.544 1.00 0.00 C ATOM 772 CG ASP A 49 -2.873 7.520 13.185 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.737 8.157 13.826 1.00 0.00 O ATOM 774 OD2 ASP A 49 -1.688 7.905 13.078 1.00 0.00 O ATOM 0 H ASP A 49 -3.996 4.441 10.432 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.914 7.071 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.847 5.622 13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.372 5.635 12.317 1.00 0.00 H new ATOM 779 N ILE A 50 -3.220 6.284 8.984 1.00 0.00 N ATOM 780 CA ILE A 50 -2.383 6.712 7.865 1.00 0.00 C ATOM 781 C ILE A 50 -2.845 8.050 7.299 1.00 0.00 C ATOM 782 O ILE A 50 -4.023 8.243 6.999 1.00 0.00 O ATOM 783 CB ILE A 50 -2.350 5.652 6.744 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.701 4.374 7.268 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.596 6.172 5.524 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.705 3.237 6.279 1.00 0.00 C ATOM 0 H ILE A 50 -3.775 5.448 8.802 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.373 6.833 8.257 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.373 5.435 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.672 4.591 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.222 4.058 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.587 5.406 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.090 7.067 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.572 6.415 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.227 2.365 6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.733 2.990 6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.158 3.532 5.383 1.00 0.00 H new ATOM 798 N GLU A 51 -1.894 8.964 7.166 1.00 0.00 N ATOM 799 CA GLU A 51 -2.159 10.305 6.670 1.00 0.00 C ATOM 800 C GLU A 51 -2.382 10.267 5.154 1.00 0.00 C ATOM 801 O GLU A 51 -1.557 9.728 4.412 1.00 0.00 O ATOM 802 CB GLU A 51 -0.974 11.206 7.045 1.00 0.00 C ATOM 803 CG GLU A 51 -1.253 12.700 6.992 1.00 0.00 C ATOM 804 CD GLU A 51 -1.217 13.264 5.589 1.00 0.00 C ATOM 805 OE1 GLU A 51 -0.114 13.376 5.023 1.00 0.00 O ATOM 806 OE2 GLU A 51 -2.291 13.596 5.047 1.00 0.00 O ATOM 0 H GLU A 51 -0.916 8.795 7.400 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.065 10.708 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.648 10.949 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.143 10.984 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.232 12.896 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.519 13.222 7.605 1.00 0.00 H new ATOM 813 N PRO A 52 -3.518 10.822 4.687 1.00 0.00 N ATOM 814 CA PRO A 52 -3.903 10.822 3.266 1.00 0.00 C ATOM 815 C PRO A 52 -2.794 11.282 2.316 1.00 0.00 C ATOM 816 O PRO A 52 -2.535 10.633 1.302 1.00 0.00 O ATOM 817 CB PRO A 52 -5.076 11.800 3.220 1.00 0.00 C ATOM 818 CG PRO A 52 -5.678 11.729 4.579 1.00 0.00 C ATOM 819 CD PRO A 52 -4.537 11.482 5.527 1.00 0.00 C ATOM 0 HA PRO A 52 -4.137 9.812 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.740 12.811 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.797 11.519 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.196 12.656 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.414 10.928 4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.162 12.413 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.840 10.849 6.361 1.00 0.00 H new ATOM 827 N MET A 53 -2.131 12.386 2.641 1.00 0.00 N ATOM 828 CA MET A 53 -1.104 12.936 1.760 1.00 0.00 C ATOM 829 C MET A 53 0.182 12.122 1.839 1.00 0.00 C ATOM 830 O MET A 53 1.019 12.189 0.941 1.00 0.00 O ATOM 831 CB MET A 53 -0.820 14.408 2.076 1.00 0.00 C ATOM 832 CG MET A 53 -1.999 15.328 1.798 1.00 0.00 C ATOM 833 SD MET A 53 -1.553 17.077 1.858 1.00 0.00 S ATOM 834 CE MET A 53 -0.919 17.215 3.527 1.00 0.00 C ATOM 0 H MET A 53 -2.283 12.915 3.500 1.00 0.00 H new ATOM 0 HA MET A 53 -1.489 12.877 0.742 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.539 14.498 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.035 14.739 1.487 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.411 15.096 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.785 15.133 2.527 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.803 18.267 3.786 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.616 16.745 4.221 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.049 16.717 3.591 1.00 0.00 H new ATOM 844 N GLN A 54 0.342 11.356 2.909 1.00 0.00 N ATOM 845 CA GLN A 54 1.455 10.424 3.010 1.00 0.00 C ATOM 846 C GLN A 54 1.190 9.193 2.159 1.00 0.00 C ATOM 847 O GLN A 54 2.100 8.645 1.543 1.00 0.00 O ATOM 848 CB GLN A 54 1.721 10.032 4.462 1.00 0.00 C ATOM 849 CG GLN A 54 2.725 10.942 5.138 1.00 0.00 C ATOM 850 CD GLN A 54 2.958 10.595 6.595 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.062 10.112 7.286 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.172 10.826 7.066 1.00 0.00 N ATOM 0 H GLN A 54 -0.282 11.361 3.716 1.00 0.00 H new ATOM 0 HA GLN A 54 2.349 10.922 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.784 10.055 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.086 9.006 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.673 10.888 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.377 11.973 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.887 11.228 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.394 10.602 8.036 1.00 0.00 H new ATOM 861 N LEU A 55 -0.064 8.771 2.108 1.00 0.00 N ATOM 862 CA LEU A 55 -0.455 7.678 1.230 1.00 0.00 C ATOM 863 C LEU A 55 -0.332 8.132 -0.225 1.00 0.00 C ATOM 864 O LEU A 55 0.026 7.355 -1.109 1.00 0.00 O ATOM 865 CB LEU A 55 -1.885 7.220 1.547 1.00 0.00 C ATOM 866 CG LEU A 55 -2.355 5.963 0.805 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.406 4.802 1.057 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.763 5.589 1.239 1.00 0.00 C ATOM 0 H LEU A 55 -0.825 9.166 2.661 1.00 0.00 H new ATOM 0 HA LEU A 55 0.207 6.827 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.960 7.037 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.569 8.036 1.314 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.360 6.180 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.759 3.921 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.408 5.065 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.370 4.587 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.083 4.695 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.773 5.393 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.443 6.410 1.013 1.00 0.00 H new ATOM 880 N LEU A 56 -0.605 9.414 -0.456 1.00 0.00 N ATOM 881 CA LEU A 56 -0.437 10.010 -1.774 1.00 0.00 C ATOM 882 C LEU A 56 1.053 10.200 -2.070 1.00 0.00 C ATOM 883 O LEU A 56 1.480 10.144 -3.221 1.00 0.00 O ATOM 884 CB LEU A 56 -1.201 11.345 -1.846 1.00 0.00 C ATOM 885 CG LEU A 56 -1.520 11.877 -3.255 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.315 12.558 -3.882 1.00 0.00 C ATOM 887 CD2 LEU A 56 -2.023 10.754 -4.150 1.00 0.00 C ATOM 0 H LEU A 56 -0.945 10.060 0.257 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.850 9.346 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.139 11.231 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.618 12.101 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.307 12.624 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.578 12.921 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.007 13.398 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.505 11.845 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.243 11.150 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.258 9.982 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.929 10.325 -3.721 1.00 0.00 H new ATOM 899 N GLU A 57 1.842 10.404 -1.020 1.00 0.00 N ATOM 900 CA GLU A 57 3.290 10.523 -1.155 1.00 0.00 C ATOM 901 C GLU A 57 3.874 9.205 -1.650 1.00 0.00 C ATOM 902 O GLU A 57 4.903 9.182 -2.320 1.00 0.00 O ATOM 903 CB GLU A 57 3.919 10.923 0.180 1.00 0.00 C ATOM 904 CG GLU A 57 5.404 11.229 0.094 1.00 0.00 C ATOM 905 CD GLU A 57 5.950 11.786 1.388 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.732 12.985 1.661 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.592 11.029 2.143 1.00 0.00 O ATOM 0 H GLU A 57 1.501 10.491 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 57 3.515 11.302 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.399 11.800 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.765 10.118 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.946 10.319 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.580 11.944 -0.710 1.00 0.00 H new ATOM 914 N VAL A 58 3.201 8.113 -1.307 1.00 0.00 N ATOM 915 CA VAL A 58 3.530 6.798 -1.838 1.00 0.00 C ATOM 916 C VAL A 58 3.214 6.741 -3.330 1.00 0.00 C ATOM 917 O VAL A 58 4.036 6.316 -4.150 1.00 0.00 O ATOM 918 CB VAL A 58 2.733 5.699 -1.108 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.918 4.356 -1.790 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.146 5.624 0.354 1.00 0.00 C ATOM 0 H VAL A 58 2.416 8.115 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 58 4.595 6.627 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 58 1.675 5.956 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.346 3.596 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.566 4.419 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.974 4.087 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.573 4.843 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.209 5.393 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.952 6.582 0.837 1.00 0.00 H new ATOM 930 N ILE A 59 2.018 7.185 -3.670 1.00 0.00 N ATOM 931 CA ILE A 59 1.594 7.264 -5.058 1.00 0.00 C ATOM 932 C ILE A 59 2.599 8.082 -5.869 1.00 0.00 C ATOM 933 O ILE A 59 3.072 7.646 -6.919 1.00 0.00 O ATOM 934 CB ILE A 59 0.198 7.909 -5.167 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.829 7.122 -4.348 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.244 8.029 -6.618 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.919 5.660 -4.720 1.00 0.00 C ATOM 0 H ILE A 59 1.317 7.499 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 59 1.545 6.251 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 59 0.264 8.916 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.575 7.203 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.810 7.580 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.232 8.487 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.467 8.648 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.284 7.038 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.667 5.171 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.204 5.568 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.049 5.185 -4.564 1.00 0.00 H new ATOM 949 N ARG A 60 2.958 9.254 -5.349 1.00 0.00 N ATOM 950 CA ARG A 60 3.911 10.124 -6.026 1.00 0.00 C ATOM 951 C ARG A 60 5.347 9.658 -5.827 1.00 0.00 C ATOM 952 O ARG A 60 6.268 10.192 -6.441 1.00 0.00 O ATOM 953 CB ARG A 60 3.749 11.577 -5.584 1.00 0.00 C ATOM 954 CG ARG A 60 2.542 12.240 -6.217 1.00 0.00 C ATOM 955 CD ARG A 60 2.564 13.748 -6.063 1.00 0.00 C ATOM 956 NE ARG A 60 1.601 14.381 -6.960 1.00 0.00 N ATOM 957 CZ ARG A 60 1.865 15.444 -7.716 1.00 0.00 C ATOM 958 NH1 ARG A 60 3.050 16.039 -7.655 1.00 0.00 N ATOM 959 NH2 ARG A 60 0.940 15.908 -8.542 1.00 0.00 N ATOM 0 H ARG A 60 2.604 9.620 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 60 3.691 10.066 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.655 11.616 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.647 12.136 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.505 11.986 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.634 11.844 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.335 14.015 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.565 14.124 -6.275 1.00 0.00 H new ATOM 0 HE ARG A 60 0.664 13.982 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.768 15.682 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.243 16.853 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.030 15.451 -8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.138 16.722 -9.123 1.00 0.00 H new ATOM 973 N ARG A 61 5.537 8.662 -4.977 1.00 0.00 N ATOM 974 CA ARG A 61 6.831 8.009 -4.854 1.00 0.00 C ATOM 975 C ARG A 61 7.102 7.245 -6.138 1.00 0.00 C ATOM 976 O ARG A 61 8.233 7.173 -6.614 1.00 0.00 O ATOM 977 CB ARG A 61 6.844 7.058 -3.652 1.00 0.00 C ATOM 978 CG ARG A 61 8.149 6.305 -3.457 1.00 0.00 C ATOM 979 CD ARG A 61 9.282 7.234 -3.065 1.00 0.00 C ATOM 980 NE ARG A 61 10.499 6.495 -2.742 1.00 0.00 N ATOM 981 CZ ARG A 61 11.220 6.695 -1.639 1.00 0.00 C ATOM 982 NH1 ARG A 61 10.831 7.587 -0.738 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.328 6.001 -1.433 1.00 0.00 N ATOM 0 H ARG A 61 4.813 8.288 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 61 7.609 8.756 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.632 7.631 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.036 6.335 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.019 5.545 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.409 5.783 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.483 7.927 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.981 7.833 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 61 10.816 5.783 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.977 8.124 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.386 7.736 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.632 5.311 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.877 6.157 -0.588 1.00 0.00 H new ATOM 997 N PHE A 62 6.041 6.685 -6.702 1.00 0.00 N ATOM 998 CA PHE A 62 6.135 6.018 -7.992 1.00 0.00 C ATOM 999 C PHE A 62 6.013 7.016 -9.147 1.00 0.00 C ATOM 1000 O PHE A 62 6.613 6.817 -10.207 1.00 0.00 O ATOM 1001 CB PHE A 62 5.080 4.921 -8.108 1.00 0.00 C ATOM 1002 CG PHE A 62 5.343 3.756 -7.197 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.149 2.710 -7.611 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.789 3.709 -5.929 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.399 1.637 -6.778 1.00 0.00 C ATOM 1006 CE2 PHE A 62 5.036 2.639 -5.090 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.841 1.601 -5.516 1.00 0.00 C ATOM 0 H PHE A 62 5.109 6.679 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 62 7.120 5.556 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.101 5.341 -7.879 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.042 4.568 -9.139 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.588 2.733 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.157 4.517 -5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.030 0.827 -7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.600 2.615 -4.102 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.034 0.763 -4.863 1.00 0.00 H new ATOM 1017 N GLU A 63 5.249 8.094 -8.948 1.00 0.00 N ATOM 1018 CA GLU A 63 5.160 9.150 -9.962 1.00 0.00 C ATOM 1019 C GLU A 63 6.506 9.840 -10.132 1.00 0.00 C ATOM 1020 O GLU A 63 6.793 10.410 -11.185 1.00 0.00 O ATOM 1021 CB GLU A 63 4.101 10.199 -9.616 1.00 0.00 C ATOM 1022 CG GLU A 63 2.678 9.670 -9.621 1.00 0.00 C ATOM 1023 CD GLU A 63 1.647 10.784 -9.605 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.495 11.471 -10.641 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.985 10.977 -8.565 1.00 0.00 O ATOM 0 H GLU A 63 4.692 8.258 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 63 4.868 8.666 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.321 10.610 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.174 11.021 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.526 9.051 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.529 9.028 -8.753 1.00 0.00 H new ATOM 1032 N ASP A 64 7.316 9.789 -9.082 1.00 0.00 N ATOM 1033 CA ASP A 64 8.680 10.305 -9.120 1.00 0.00 C ATOM 1034 C ASP A 64 9.451 9.713 -10.293 1.00 0.00 C ATOM 1035 O ASP A 64 10.154 10.424 -11.011 1.00 0.00 O ATOM 1036 CB ASP A 64 9.398 9.982 -7.805 1.00 0.00 C ATOM 1037 CG ASP A 64 10.878 10.311 -7.843 1.00 0.00 C ATOM 1038 OD1 ASP A 64 11.227 11.510 -7.845 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.701 9.373 -7.864 1.00 0.00 O ATOM 0 H ASP A 64 7.048 9.390 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 64 8.635 11.386 -9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.928 10.539 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.272 8.923 -7.579 1.00 0.00 H new ATOM 1044 N ARG A 65 9.285 8.416 -10.506 1.00 0.00 N ATOM 1045 CA ARG A 65 10.001 7.724 -11.565 1.00 0.00 C ATOM 1046 C ARG A 65 9.147 7.613 -12.824 1.00 0.00 C ATOM 1047 O ARG A 65 9.549 6.987 -13.806 1.00 0.00 O ATOM 1048 CB ARG A 65 10.443 6.344 -11.080 1.00 0.00 C ATOM 1049 CG ARG A 65 11.352 6.417 -9.864 1.00 0.00 C ATOM 1050 CD ARG A 65 11.936 5.065 -9.495 1.00 0.00 C ATOM 1051 NE ARG A 65 10.916 4.094 -9.092 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.633 3.800 -7.822 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.159 4.515 -6.833 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.794 2.812 -7.540 1.00 0.00 N ATOM 0 H ARG A 65 8.661 7.823 -9.959 1.00 0.00 H new ATOM 0 HA ARG A 65 10.887 8.304 -11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.563 5.749 -10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.963 5.828 -11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.163 7.118 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.790 6.810 -9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.490 4.670 -10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.650 5.193 -8.681 1.00 0.00 H new ATOM 0 HE ARG A 65 10.392 3.615 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.783 5.294 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.938 4.285 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.365 2.276 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.578 2.588 -6.569 1.00 0.00 H new ATOM 1068 N GLY A 66 7.969 8.231 -12.791 1.00 0.00 N ATOM 1069 CA GLY A 66 7.110 8.267 -13.960 1.00 0.00 C ATOM 1070 C GLY A 66 6.330 6.984 -14.154 1.00 0.00 C ATOM 1071 O GLY A 66 5.822 6.714 -15.242 1.00 0.00 O ATOM 0 H GLY A 66 7.594 8.709 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.413 9.100 -13.868 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.717 8.455 -14.846 1.00 0.00 H new ATOM 1075 N ALA A 67 6.223 6.193 -13.100 1.00 0.00 N ATOM 1076 CA ALA A 67 5.520 4.927 -13.179 1.00 0.00 C ATOM 1077 C ALA A 67 4.052 5.105 -12.818 1.00 0.00 C ATOM 1078 O ALA A 67 3.665 4.941 -11.663 1.00 0.00 O ATOM 1079 CB ALA A 67 6.179 3.895 -12.276 1.00 0.00 C ATOM 0 H ALA A 67 6.614 6.406 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 67 5.574 4.566 -14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.639 2.951 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.213 3.746 -12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.158 4.248 -11.245 1.00 0.00 H new ATOM 1085 N MET A 68 3.245 5.458 -13.812 1.00 0.00 N ATOM 1086 CA MET A 68 1.814 5.671 -13.610 1.00 0.00 C ATOM 1087 C MET A 68 1.135 4.378 -13.181 1.00 0.00 C ATOM 1088 O MET A 68 0.263 4.377 -12.307 1.00 0.00 O ATOM 1089 CB MET A 68 1.158 6.187 -14.894 1.00 0.00 C ATOM 1090 CG MET A 68 1.639 7.558 -15.354 1.00 0.00 C ATOM 1091 SD MET A 68 1.060 8.914 -14.311 1.00 0.00 S ATOM 1092 CE MET A 68 2.148 8.779 -12.895 1.00 0.00 C ATOM 0 H MET A 68 3.558 5.604 -14.772 1.00 0.00 H new ATOM 0 HA MET A 68 1.695 6.416 -12.823 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.340 5.467 -15.692 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.079 6.229 -14.742 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.729 7.564 -15.372 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.302 7.728 -16.377 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.469 9.774 -12.587 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.618 8.298 -12.073 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.020 8.183 -13.162 1.00 0.00 H new ATOM 1102 N GLU A 69 1.552 3.278 -13.793 1.00 0.00 N ATOM 1103 CA GLU A 69 0.979 1.978 -13.494 1.00 0.00 C ATOM 1104 C GLU A 69 1.355 1.542 -12.086 1.00 0.00 C ATOM 1105 O GLU A 69 0.508 1.082 -11.324 1.00 0.00 O ATOM 1106 CB GLU A 69 1.451 0.944 -14.512 1.00 0.00 C ATOM 1107 CG GLU A 69 0.827 -0.426 -14.318 1.00 0.00 C ATOM 1108 CD GLU A 69 1.288 -1.419 -15.359 1.00 0.00 C ATOM 1109 OE1 GLU A 69 0.719 -1.423 -16.469 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.227 -2.192 -15.077 1.00 0.00 O ATOM 0 H GLU A 69 2.287 3.263 -14.500 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.107 2.057 -13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.219 1.301 -15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.535 0.853 -14.449 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.079 -0.800 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.259 -0.337 -14.359 1.00 0.00 H new ATOM 1117 N ARG A 70 2.623 1.719 -11.730 1.00 0.00 N ATOM 1118 CA ARG A 70 3.103 1.304 -10.419 1.00 0.00 C ATOM 1119 C ARG A 70 2.611 2.259 -9.333 1.00 0.00 C ATOM 1120 O ARG A 70 2.537 1.889 -8.160 1.00 0.00 O ATOM 1121 CB ARG A 70 4.631 1.197 -10.398 1.00 0.00 C ATOM 1122 CG ARG A 70 5.178 0.211 -11.419 1.00 0.00 C ATOM 1123 CD ARG A 70 6.653 -0.086 -11.191 1.00 0.00 C ATOM 1124 NE ARG A 70 7.216 -0.882 -12.277 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.622 -2.148 -12.156 1.00 0.00 C ATOM 1126 NH1 ARG A 70 7.550 -2.778 -10.988 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.103 -2.781 -13.213 1.00 0.00 N ATOM 0 H ARG A 70 3.332 2.144 -12.327 1.00 0.00 H new ATOM 0 HA ARG A 70 2.696 0.314 -10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.060 2.181 -10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.954 0.895 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.609 -0.717 -11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.040 0.614 -12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.204 0.851 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.776 -0.618 -10.248 1.00 0.00 H new ATOM 0 HE ARG A 70 7.305 -0.440 -13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.181 -2.294 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.864 -3.745 -10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.161 -2.302 -14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.416 -3.748 -13.130 1.00 0.00 H new ATOM 1141 N ALA A 71 2.267 3.482 -9.728 1.00 0.00 N ATOM 1142 CA ALA A 71 1.650 4.432 -8.810 1.00 0.00 C ATOM 1143 C ALA A 71 0.273 3.930 -8.397 1.00 0.00 C ATOM 1144 O ALA A 71 -0.056 3.877 -7.213 1.00 0.00 O ATOM 1145 CB ALA A 71 1.550 5.812 -9.449 1.00 0.00 C ATOM 0 H ALA A 71 2.405 3.837 -10.674 1.00 0.00 H new ATOM 0 HA ALA A 71 2.275 4.519 -7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.087 6.505 -8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.548 6.168 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.944 5.751 -10.353 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.521 3.533 -9.382 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.830 2.955 -9.112 1.00 0.00 C ATOM 1153 C ASN A 72 -1.679 1.568 -8.501 1.00 0.00 C ATOM 1154 O ASN A 72 -2.550 1.103 -7.765 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.677 2.889 -10.384 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.222 4.247 -10.787 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.297 4.656 -10.340 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.488 4.956 -11.633 1.00 0.00 N ATOM 0 H ASN A 72 -0.283 3.600 -10.372 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.344 3.600 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.074 2.486 -11.198 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.506 2.199 -10.230 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.807 5.876 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.605 4.582 -11.979 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.562 0.915 -8.807 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.227 -0.364 -8.203 1.00 0.00 C ATOM 1167 C LYS A 73 -0.056 -0.189 -6.696 1.00 0.00 C ATOM 1168 O LYS A 73 -0.483 -1.031 -5.911 1.00 0.00 O ATOM 1169 CB LYS A 73 1.060 -0.925 -8.820 1.00 0.00 C ATOM 1170 CG LYS A 73 1.269 -2.410 -8.577 1.00 0.00 C ATOM 1171 CD LYS A 73 0.235 -3.238 -9.322 1.00 0.00 C ATOM 1172 CE LYS A 73 0.456 -4.728 -9.124 1.00 0.00 C ATOM 1173 NZ LYS A 73 -0.560 -5.536 -9.846 1.00 0.00 N ATOM 0 H LYS A 73 0.129 1.256 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.036 -1.070 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.045 -0.742 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.912 -0.378 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.270 -2.697 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.206 -2.619 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.763 -2.970 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.278 -3.002 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.452 -4.998 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.419 -4.963 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.376 -6.547 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.509 -5.297 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.507 -5.331 -10.864 1.00 0.00 H new ATOM 1187 N ALA A 74 0.578 0.912 -6.299 1.00 0.00 N ATOM 1188 CA ALA A 74 0.689 1.266 -4.890 1.00 0.00 C ATOM 1189 C ALA A 74 -0.696 1.481 -4.297 1.00 0.00 C ATOM 1190 O ALA A 74 -1.023 0.942 -3.242 1.00 0.00 O ATOM 1191 CB ALA A 74 1.539 2.521 -4.709 1.00 0.00 C ATOM 0 H ALA A 74 1.022 1.574 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 74 1.179 0.445 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.607 2.765 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.539 2.344 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.079 3.352 -5.244 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.504 2.252 -5.015 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.860 2.591 -4.594 1.00 0.00 C ATOM 1199 C ARG A 75 -3.699 1.339 -4.334 1.00 0.00 C ATOM 1200 O ARG A 75 -4.259 1.170 -3.249 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.518 3.454 -5.676 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.917 3.935 -5.337 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.495 4.753 -6.481 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.850 5.221 -6.204 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.762 5.455 -7.148 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.467 5.255 -8.430 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.969 5.884 -6.806 1.00 0.00 N ATOM 0 H ARG A 75 -1.237 2.662 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.804 3.145 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.886 4.322 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.559 2.882 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.561 3.080 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.890 4.538 -4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.850 5.610 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.501 4.149 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.114 5.378 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.540 4.921 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.168 5.435 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.197 6.034 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.669 6.064 -7.526 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.772 0.460 -5.326 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.607 -0.732 -5.229 1.00 0.00 C ATOM 1223 C ARG A 76 -4.093 -1.705 -4.174 1.00 0.00 C ATOM 1224 O ARG A 76 -4.882 -2.288 -3.435 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.714 -1.434 -6.581 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.559 -0.685 -7.596 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.711 -1.491 -8.872 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.562 -0.828 -9.859 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.748 -1.288 -11.093 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -6.187 -2.432 -11.463 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.518 -0.620 -11.943 1.00 0.00 N ATOM 0 H ARG A 76 -3.264 0.549 -6.206 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.599 -0.400 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.712 -1.573 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.138 -2.427 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.542 -0.476 -7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.098 0.277 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.727 -1.666 -9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.132 -2.467 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.038 0.032 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.615 -2.957 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.328 -2.787 -12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.968 0.247 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.660 -0.974 -12.889 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.777 -1.875 -4.093 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.197 -2.797 -3.120 1.00 0.00 C ATOM 1247 C ARG A 77 -2.431 -2.308 -1.697 1.00 0.00 C ATOM 1248 O ARG A 77 -2.719 -3.103 -0.804 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.705 -3.001 -3.371 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.408 -3.851 -4.596 1.00 0.00 C ATOM 1251 CD ARG A 77 1.086 -3.979 -4.828 1.00 0.00 C ATOM 1252 NE ARG A 77 1.718 -2.672 -5.004 1.00 0.00 N ATOM 1253 CZ ARG A 77 3.026 -2.451 -4.877 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.845 -3.458 -4.588 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.511 -1.224 -5.042 1.00 0.00 N ATOM 0 H ARG A 77 -2.098 -1.393 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.697 -3.758 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.228 -2.028 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.258 -3.471 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.845 -4.842 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.878 -3.406 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.543 -4.494 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.266 -4.593 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 77 1.120 -1.880 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.472 -4.399 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.846 -3.289 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.882 -0.453 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.512 -1.054 -4.945 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.318 -1.001 -1.484 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.619 -0.426 -0.181 1.00 0.00 C ATOM 1271 C CYS A 78 -4.091 -0.639 0.150 1.00 0.00 C ATOM 1272 O CYS A 78 -4.433 -1.018 1.267 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.271 1.064 -0.142 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.517 1.415 -0.395 1.00 0.00 S ATOM 0 H CYS A 78 -2.023 -0.327 -2.190 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.008 -0.930 0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.849 1.582 -0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.578 1.473 0.820 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.228 1.293 -1.657 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.956 -0.411 -0.838 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.374 -0.674 -0.670 1.00 0.00 C ATOM 1282 C GLY A 79 -6.651 -2.126 -0.337 1.00 0.00 C ATOM 1283 O GLY A 79 -7.560 -2.431 0.434 1.00 0.00 O ATOM 0 H GLY A 79 -4.696 -0.047 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.768 -0.039 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.903 -0.405 -1.585 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.857 -3.019 -0.914 1.00 0.00 N ATOM 1288 CA GLU A 80 -5.976 -4.446 -0.650 1.00 0.00 C ATOM 1289 C GLU A 80 -5.574 -4.760 0.789 1.00 0.00 C ATOM 1290 O GLU A 80 -6.249 -5.529 1.476 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.112 -5.234 -1.640 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.049 -6.729 -1.364 1.00 0.00 C ATOM 1293 CD GLU A 80 -6.387 -7.432 -1.493 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -7.422 -6.756 -1.667 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -6.408 -8.679 -1.423 1.00 0.00 O ATOM 0 H GLU A 80 -5.118 -2.776 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.016 -4.744 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.500 -5.078 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.100 -4.830 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.340 -7.187 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.661 -6.887 -0.358 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.477 -4.158 1.242 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.051 -4.291 2.630 1.00 0.00 C ATOM 1304 C VAL A 81 -5.129 -3.736 3.558 1.00 0.00 C ATOM 1305 O VAL A 81 -5.455 -4.340 4.582 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.713 -3.562 2.895 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.307 -3.688 4.356 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.617 -4.106 1.992 1.00 0.00 C ATOM 0 H VAL A 81 -3.869 -3.574 0.668 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.899 -5.352 2.828 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.855 -2.505 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.363 -3.167 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.078 -3.246 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.189 -4.741 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.684 -3.580 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.482 -5.170 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.898 -3.958 0.949 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.688 -2.588 3.177 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.795 -1.989 3.912 1.00 0.00 C ATOM 1320 C PHE A 82 -7.961 -2.967 3.999 1.00 0.00 C ATOM 1321 O PHE A 82 -8.477 -3.234 5.081 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.268 -0.695 3.236 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.272 0.436 3.265 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.415 0.602 4.338 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -6.209 1.346 2.219 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.512 1.647 4.369 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -5.306 2.391 2.244 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.457 2.541 3.320 1.00 0.00 C ATOM 0 H PHE A 82 -5.389 -2.055 2.360 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.441 -1.752 4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.517 -0.914 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.186 -0.364 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.452 -0.095 5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.874 1.236 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.850 1.764 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.265 3.090 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.750 3.357 3.341 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.356 -3.504 2.849 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.460 -4.454 2.775 1.00 0.00 C ATOM 1340 C ARG A 83 -9.202 -5.649 3.683 1.00 0.00 C ATOM 1341 O ARG A 83 -10.050 -6.015 4.496 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.657 -4.936 1.334 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.862 -5.846 1.160 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.908 -6.469 -0.226 1.00 0.00 C ATOM 1345 NE ARG A 83 -9.786 -7.377 -0.459 1.00 0.00 N ATOM 1346 CZ ARG A 83 -9.823 -8.688 -0.214 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -10.911 -9.249 0.302 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -8.768 -9.440 -0.484 1.00 0.00 N ATOM 0 H ARG A 83 -7.924 -3.295 1.949 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.365 -3.946 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.768 -4.070 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.761 -5.466 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.832 -6.635 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.775 -5.276 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.845 -7.013 -0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.897 -5.680 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.922 -6.984 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.728 -8.677 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.929 -10.252 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.928 -9.017 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.795 -10.442 -0.297 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.018 -6.236 3.546 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.623 -7.396 4.336 1.00 0.00 C ATOM 1364 C TYR A 84 -7.753 -7.107 5.829 1.00 0.00 C ATOM 1365 O TYR A 84 -8.286 -7.920 6.587 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.183 -7.790 3.988 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.667 -9.007 4.729 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.216 -10.265 4.509 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -4.619 -8.898 5.636 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.737 -11.379 5.173 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.136 -10.007 6.304 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.697 -11.244 6.070 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.211 -12.353 6.727 1.00 0.00 O ATOM 0 H TYR A 84 -7.307 -5.922 2.886 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.288 -8.226 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.121 -7.980 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.527 -6.946 4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.030 -10.374 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.175 -7.931 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.174 -12.350 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.322 -9.905 7.007 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.670 -12.068 7.493 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.285 -5.934 6.239 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.340 -5.537 7.637 1.00 0.00 C ATOM 1385 C ALA A 85 -8.770 -5.270 8.088 1.00 0.00 C ATOM 1386 O ALA A 85 -9.129 -5.568 9.224 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.476 -4.316 7.877 1.00 0.00 C ATOM 0 H ALA A 85 -6.863 -5.241 5.620 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.953 -6.366 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.529 -4.033 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.443 -4.544 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.833 -3.491 7.261 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.585 -4.707 7.207 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.987 -4.463 7.526 1.00 0.00 C ATOM 1395 C ILE A 86 -11.720 -5.782 7.762 1.00 0.00 C ATOM 1396 O ILE A 86 -12.490 -5.912 8.714 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.704 -3.655 6.415 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.105 -2.248 6.308 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.203 -3.573 6.686 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.717 -1.404 5.209 1.00 0.00 C ATOM 0 H ILE A 86 -9.304 -4.412 6.272 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.009 -3.868 8.439 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.556 -4.172 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.234 -1.735 7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.032 -2.332 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.685 -3.001 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.623 -4.578 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.373 -3.081 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.242 -0.423 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.565 -1.894 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.785 -1.287 5.392 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.451 -6.768 6.914 1.00 0.00 N ATOM 1413 CA VAL A 87 -12.096 -8.075 7.021 1.00 0.00 C ATOM 1414 C VAL A 87 -11.731 -8.772 8.334 1.00 0.00 C ATOM 1415 O VAL A 87 -12.579 -9.400 8.971 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.728 -8.990 5.830 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.421 -10.340 5.939 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -12.089 -8.321 4.514 1.00 0.00 C ATOM 0 H VAL A 87 -10.789 -6.688 6.142 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.171 -7.896 7.004 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.651 -9.157 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.143 -10.961 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.116 -10.832 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.501 -10.195 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.823 -8.979 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.160 -8.121 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.543 -7.382 4.421 1.00 0.00 H new ATOM 1428 N THR A 88 -10.473 -8.659 8.743 1.00 0.00 N ATOM 1429 CA THR A 88 -10.028 -9.274 9.989 1.00 0.00 C ATOM 1430 C THR A 88 -10.378 -8.390 11.192 1.00 0.00 C ATOM 1431 O THR A 88 -10.271 -8.813 12.340 1.00 0.00 O ATOM 1432 CB THR A 88 -8.508 -9.583 9.967 1.00 0.00 C ATOM 1433 OG1 THR A 88 -8.104 -10.227 11.182 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.687 -8.318 9.774 1.00 0.00 C ATOM 0 H THR A 88 -9.748 -8.152 8.236 1.00 0.00 H new ATOM 0 HA THR A 88 -10.558 -10.221 10.088 1.00 0.00 H new ATOM 0 HB THR A 88 -8.327 -10.250 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.696 -9.949 11.912 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.627 -8.570 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.958 -7.849 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.887 -7.626 10.592 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.810 -7.164 10.918 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.233 -6.270 11.981 1.00 0.00 C ATOM 1444 C GLY A 89 -10.084 -5.510 12.616 1.00 0.00 C ATOM 1445 O GLY A 89 -10.178 -5.078 13.764 1.00 0.00 O ATOM 0 H GLY A 89 -10.875 -6.773 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.955 -5.557 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.747 -6.847 12.750 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.997 -5.345 11.876 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.854 -4.576 12.358 1.00 0.00 C ATOM 1451 C ARG A 90 -7.901 -3.163 11.790 1.00 0.00 C ATOM 1452 O ARG A 90 -7.113 -2.296 12.162 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.542 -5.265 11.982 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.388 -6.639 12.615 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.099 -7.314 12.186 1.00 0.00 C ATOM 1456 NE ARG A 90 -5.003 -8.681 12.693 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.123 -9.579 12.252 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.259 -9.255 11.298 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -4.105 -10.801 12.768 1.00 0.00 N ATOM 0 H ARG A 90 -8.881 -5.732 10.940 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.905 -4.519 13.445 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.487 -5.363 10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.707 -4.635 12.288 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.405 -6.543 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.236 -7.265 12.337 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.041 -7.326 11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.249 -6.734 12.545 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.649 -8.965 13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.267 -8.316 10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.587 -9.945 10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.765 -11.054 13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.431 -11.488 12.430 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.837 -2.954 10.879 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.111 -1.641 10.327 1.00 0.00 C ATOM 1475 C ALA A 91 -10.614 -1.422 10.310 1.00 0.00 C ATOM 1476 O ALA A 91 -11.367 -2.343 9.996 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.534 -1.509 8.926 1.00 0.00 C ATOM 0 H ALA A 91 -9.429 -3.694 10.501 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.637 -0.882 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.753 -0.516 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.454 -1.655 8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.980 -2.262 8.276 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.052 -0.223 10.659 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.478 0.055 10.752 1.00 0.00 C ATOM 1485 C LYS A 92 -12.978 0.625 9.434 1.00 0.00 C ATOM 1486 O LYS A 92 -14.018 0.219 8.917 1.00 0.00 O ATOM 1487 CB LYS A 92 -12.760 1.028 11.898 1.00 0.00 C ATOM 1488 CG LYS A 92 -14.222 1.074 12.311 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.436 1.990 13.505 1.00 0.00 C ATOM 1490 CE LYS A 92 -15.850 1.870 14.047 1.00 0.00 C ATOM 1491 NZ LYS A 92 -16.094 2.777 15.200 1.00 0.00 N ATOM 0 H LYS A 92 -10.447 0.568 10.881 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.007 -0.875 10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.156 0.745 12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -12.443 2.028 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.827 1.420 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.563 0.068 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.721 1.741 14.290 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.243 3.022 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.561 2.097 13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.033 0.840 14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.072 2.658 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.434 2.545 15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.947 3.763 14.903 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.223 1.572 8.899 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.500 2.130 7.590 1.00 0.00 C ATOM 1507 C TYR A 93 -11.180 2.504 6.928 1.00 0.00 C ATOM 1508 O TYR A 93 -10.211 2.833 7.615 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.427 3.352 7.694 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.770 4.599 8.247 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -12.582 4.771 9.613 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -12.353 5.613 7.394 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -11.992 5.917 10.111 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.761 6.757 7.883 1.00 0.00 C ATOM 1515 CZ TYR A 93 -11.585 6.906 9.242 1.00 0.00 C ATOM 1516 OH TYR A 93 -11.004 8.054 9.730 1.00 0.00 O ATOM 0 H TYR A 93 -11.405 1.972 9.359 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.016 1.387 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.824 3.575 6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.276 3.094 8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.902 3.998 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.495 5.503 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.851 6.037 11.175 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.437 7.533 7.205 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.775 8.647 8.984 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.130 2.438 5.610 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.893 2.712 4.896 1.00 0.00 C ATOM 1528 C ASN A 94 -9.952 4.064 4.191 1.00 0.00 C ATOM 1529 O ASN A 94 -10.959 4.417 3.581 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.576 1.591 3.897 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.625 1.401 2.814 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.809 1.685 3.002 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.192 0.892 1.672 1.00 0.00 N ATOM 0 H ASN A 94 -11.923 2.199 5.015 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.088 2.751 5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.617 1.803 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.462 0.655 4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.847 0.722 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.203 0.670 1.555 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.859 4.841 4.277 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.766 6.180 3.681 1.00 0.00 C ATOM 1542 C PRO A 95 -8.553 6.141 2.165 1.00 0.00 C ATOM 1543 O PRO A 95 -7.888 7.008 1.598 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.541 6.803 4.376 1.00 0.00 C ATOM 1545 CG PRO A 95 -7.124 5.832 5.432 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.625 4.492 4.987 1.00 0.00 C ATOM 0 HA PRO A 95 -9.688 6.744 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.734 6.974 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.791 7.770 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.040 5.824 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.546 6.104 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.911 3.986 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.815 3.828 5.830 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.141 5.146 1.512 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.039 5.010 0.064 1.00 0.00 C ATOM 1556 C ALA A 96 -9.771 6.148 -0.660 1.00 0.00 C ATOM 1557 O ALA A 96 -9.227 6.715 -1.609 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.551 3.648 -0.388 1.00 0.00 C ATOM 0 H ALA A 96 -9.695 4.419 1.964 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.985 5.081 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.466 3.568 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.959 2.863 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.596 3.537 -0.097 1.00 0.00 H new ATOM 1564 N PRO A 97 -11.011 6.509 -0.247 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.701 7.682 -0.802 1.00 0.00 C ATOM 1566 C PRO A 97 -10.898 8.963 -0.582 1.00 0.00 C ATOM 1567 O PRO A 97 -10.799 9.812 -1.472 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.027 7.739 -0.029 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.828 6.867 1.166 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.854 5.809 0.744 1.00 0.00 C ATOM 0 HA PRO A 97 -11.840 7.601 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.266 8.761 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.855 7.382 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.441 7.441 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.771 6.424 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.267 5.442 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.359 4.947 0.308 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.314 9.081 0.609 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.474 10.224 0.954 1.00 0.00 C ATOM 1580 C ASP A 98 -8.277 10.309 0.019 1.00 0.00 C ATOM 1581 O ASP A 98 -7.901 11.393 -0.414 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.979 10.121 2.401 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.099 10.212 3.418 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.856 9.228 3.569 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.222 11.264 4.080 1.00 0.00 O ATOM 0 H ASP A 98 -10.409 8.393 1.356 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.080 11.124 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.452 9.176 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.258 10.917 2.590 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.690 9.156 -0.287 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.542 9.078 -1.186 1.00 0.00 C ATOM 1592 C LEU A 99 -6.860 9.749 -2.522 1.00 0.00 C ATOM 1593 O LEU A 99 -6.088 10.572 -3.017 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.150 7.601 -1.391 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.861 7.322 -2.188 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.092 7.433 -3.689 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.749 8.263 -1.754 1.00 0.00 C ATOM 0 H LEU A 99 -7.994 8.254 0.079 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.700 9.608 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.048 7.139 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.975 7.099 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.560 6.297 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.160 7.230 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.848 6.710 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.434 8.439 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.847 8.050 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.056 9.294 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.545 8.120 -0.693 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.010 9.405 -3.087 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.415 9.932 -4.383 1.00 0.00 C ATOM 1611 C ALA A 100 -8.706 11.427 -4.306 1.00 0.00 C ATOM 1612 O ALA A 100 -8.317 12.194 -5.187 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.633 9.182 -4.897 1.00 0.00 C ATOM 0 H ALA A 100 -8.680 8.761 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.589 9.787 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.926 9.585 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.391 8.124 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.456 9.298 -4.192 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.381 11.839 -3.242 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.765 13.237 -3.080 1.00 0.00 C ATOM 1621 C ASP A 101 -8.535 14.099 -2.805 1.00 0.00 C ATOM 1622 O ASP A 101 -8.415 15.217 -3.312 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.781 13.384 -1.946 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.602 14.653 -2.061 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.129 15.721 -1.625 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.739 14.583 -2.586 1.00 0.00 O ATOM 0 H ASP A 101 -9.674 11.228 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.228 13.577 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.448 12.522 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.257 13.380 -0.990 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.612 13.559 -2.018 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.362 14.245 -1.711 1.00 0.00 C ATOM 1633 C ALA A 102 -5.504 14.389 -2.962 1.00 0.00 C ATOM 1634 O ALA A 102 -4.811 15.389 -3.134 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.594 13.503 -0.627 1.00 0.00 C ATOM 0 H ALA A 102 -7.706 12.643 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.605 15.242 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.665 14.031 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.199 13.452 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.367 12.493 -0.968 1.00 0.00 H new ATOM 1641 N MET A 103 -5.553 13.381 -3.829 1.00 0.00 N ATOM 1642 CA MET A 103 -4.856 13.430 -5.112 1.00 0.00 C ATOM 1643 C MET A 103 -5.328 14.631 -5.927 1.00 0.00 C ATOM 1644 O MET A 103 -4.524 15.357 -6.515 1.00 0.00 O ATOM 1645 CB MET A 103 -5.095 12.133 -5.892 1.00 0.00 C ATOM 1646 CG MET A 103 -4.362 12.068 -7.221 1.00 0.00 C ATOM 1647 SD MET A 103 -4.741 10.563 -8.143 1.00 0.00 S ATOM 1648 CE MET A 103 -4.078 9.319 -7.040 1.00 0.00 C ATOM 0 H MET A 103 -6.070 12.517 -3.666 1.00 0.00 H new ATOM 0 HA MET A 103 -3.787 13.536 -4.925 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.786 11.288 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.164 12.021 -6.072 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.629 12.937 -7.823 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.288 12.121 -7.043 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.874 8.407 -7.601 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.154 9.685 -6.593 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.802 9.107 -6.254 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.637 14.847 -5.934 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.223 15.987 -6.630 1.00 0.00 C ATOM 1660 C LYS A 104 -6.800 17.290 -5.965 1.00 0.00 C ATOM 1661 O LYS A 104 -6.404 18.246 -6.634 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.749 15.890 -6.633 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.280 14.583 -7.187 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.796 14.537 -7.129 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.326 13.155 -7.465 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.809 13.106 -7.409 1.00 0.00 N ATOM 0 H LYS A 104 -7.315 14.247 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.864 15.975 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.113 16.016 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.155 16.714 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.949 14.461 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.866 13.750 -6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.131 14.824 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.210 15.265 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.990 12.869 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.911 12.427 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.134 12.146 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.129 13.355 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.205 13.783 -8.092 1.00 0.00 H new