USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 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 Single : A 5 ASN : amide:sc= -0.0778 K(o=-0.078,f=-1.3) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 8 SER OG : rot 69:sc= 0.935 USER MOD Single : A 11 TYR OH : rot 141:sc= -0.967 USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0765 (180deg=-0.351) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.853 (180deg=0.172) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0566 (180deg=-0.319) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.79) 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 78:sc= 1.16 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 1.99 (180deg=1.49) USER MOD Single : A 33 MET CE :methyl -137:sc= -1.25 (180deg=-4.99!) USER MOD Single : A 48 GLN : amide:sc= 0.662 K(o=0.66,f=-0.49) USER MOD Single : A 53 MET CE :methyl -152:sc= -0.38 (180deg=-1.38!) USER MOD Single : A 54 GLN : amide:sc= -0.014 K(o=-0.014,f=-2.5!) USER MOD Single : A 68 MET CE :methyl -171:sc= -1.65 (180deg=-1.84) USER MOD Single : A 72 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 75:sc= 0.887 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 88 THR OG1 : rot -84:sc= 0.758 USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= -0.0248 (180deg=-0.231) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.9!) USER MOD Single : A 103 MET CE :methyl -139:sc= -0.781 (180deg=-4.93!) USER MOD Single : A 104 LYS NZ :NH3+ -140:sc= -0.841 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -1.349 -2.303 14.864 1.00 0.00 N ATOM 54 CA ASN A 5 -2.048 -2.213 13.580 1.00 0.00 C ATOM 55 C ASN A 5 -1.184 -1.482 12.562 1.00 0.00 C ATOM 56 O ASN A 5 -1.689 -0.843 11.640 1.00 0.00 O ATOM 57 CB ASN A 5 -3.398 -1.502 13.740 1.00 0.00 C ATOM 58 CG ASN A 5 -4.351 -2.247 14.657 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.322 -3.474 14.744 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.200 -1.510 15.352 1.00 0.00 N ATOM 0 HA ASN A 5 -2.237 -3.225 13.222 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.231 -0.500 14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.861 -1.386 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.861 -1.956 15.987 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.194 -0.495 15.253 1.00 0.00 H new ATOM 67 N SER A 6 0.124 -1.589 12.742 1.00 0.00 N ATOM 68 CA SER A 6 1.086 -0.977 11.844 1.00 0.00 C ATOM 69 C SER A 6 0.889 -1.490 10.422 1.00 0.00 C ATOM 70 O SER A 6 0.616 -2.679 10.220 1.00 0.00 O ATOM 71 CB SER A 6 2.494 -1.305 12.329 1.00 0.00 C ATOM 72 OG SER A 6 2.558 -1.259 13.744 1.00 0.00 O ATOM 0 H SER A 6 0.546 -2.103 13.515 1.00 0.00 H new ATOM 0 HA SER A 6 0.940 0.103 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.783 -2.296 11.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.205 -0.596 11.904 1.00 0.00 H new ATOM 0 HG SER A 6 3.468 -1.474 14.037 1.00 0.00 H new ATOM 78 N PHE A 7 1.019 -0.598 9.447 1.00 0.00 N ATOM 79 CA PHE A 7 0.833 -0.960 8.048 1.00 0.00 C ATOM 80 C PHE A 7 1.711 -2.152 7.678 1.00 0.00 C ATOM 81 O PHE A 7 1.226 -3.124 7.108 1.00 0.00 O ATOM 82 CB PHE A 7 1.141 0.228 7.130 1.00 0.00 C ATOM 83 CG PHE A 7 0.756 -0.009 5.694 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.525 0.288 5.252 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.665 -0.540 4.792 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.887 0.069 3.935 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.308 -0.762 3.476 1.00 0.00 C ATOM 88 CZ PHE A 7 0.031 -0.460 3.047 1.00 0.00 C ATOM 0 H PHE A 7 1.253 0.383 9.601 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.211 -1.240 7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.615 1.108 7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.207 0.450 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.248 0.695 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.664 -0.783 5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.885 0.311 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.028 -1.172 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.250 -0.637 2.019 1.00 0.00 H new ATOM 98 N SER A 8 2.993 -2.081 8.035 1.00 0.00 N ATOM 99 CA SER A 8 3.943 -3.151 7.725 1.00 0.00 C ATOM 100 C SER A 8 3.497 -4.498 8.296 1.00 0.00 C ATOM 101 O SER A 8 3.748 -5.539 7.699 1.00 0.00 O ATOM 102 CB SER A 8 5.329 -2.801 8.264 1.00 0.00 C ATOM 103 OG SER A 8 5.818 -1.610 7.676 1.00 0.00 O ATOM 0 H SER A 8 3.399 -1.293 8.540 1.00 0.00 H new ATOM 0 HA SER A 8 3.981 -3.243 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.283 -2.683 9.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.019 -3.620 8.062 1.00 0.00 H new ATOM 0 HG SER A 8 5.287 -0.848 7.990 1.00 0.00 H new ATOM 109 N ALA A 9 2.822 -4.472 9.438 1.00 0.00 N ATOM 110 CA ALA A 9 2.408 -5.699 10.107 1.00 0.00 C ATOM 111 C ALA A 9 1.316 -6.414 9.322 1.00 0.00 C ATOM 112 O ALA A 9 1.408 -7.611 9.041 1.00 0.00 O ATOM 113 CB ALA A 9 1.923 -5.390 11.513 1.00 0.00 C ATOM 0 H ALA A 9 2.550 -3.615 9.920 1.00 0.00 H new ATOM 0 HA ALA A 9 3.272 -6.361 10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.616 -6.314 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.729 -4.927 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.075 -4.707 11.463 1.00 0.00 H new ATOM 119 N ILE A 10 0.286 -5.667 8.964 1.00 0.00 N ATOM 120 CA ILE A 10 -0.843 -6.219 8.232 1.00 0.00 C ATOM 121 C ILE A 10 -0.457 -6.465 6.777 1.00 0.00 C ATOM 122 O ILE A 10 -0.881 -7.446 6.167 1.00 0.00 O ATOM 123 CB ILE A 10 -2.062 -5.284 8.324 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.389 -5.036 9.800 1.00 0.00 C ATOM 125 CG2 ILE A 10 -3.259 -5.881 7.593 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.464 -4.003 10.028 1.00 0.00 C ATOM 0 H ILE A 10 0.207 -4.671 9.169 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.117 -7.173 8.683 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.828 -4.334 7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.701 -5.976 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.481 -4.720 10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.109 -5.203 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.008 -6.028 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.518 -6.840 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.636 -3.887 11.098 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.148 -3.049 9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.387 -4.325 9.545 1.00 0.00 H new ATOM 138 N TYR A 11 0.375 -5.579 6.241 1.00 0.00 N ATOM 139 CA TYR A 11 0.959 -5.771 4.919 1.00 0.00 C ATOM 140 C TYR A 11 1.761 -7.070 4.877 1.00 0.00 C ATOM 141 O TYR A 11 1.686 -7.819 3.909 1.00 0.00 O ATOM 142 CB TYR A 11 1.847 -4.577 4.555 1.00 0.00 C ATOM 143 CG TYR A 11 2.934 -4.905 3.562 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.631 -5.241 2.248 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.266 -4.895 3.949 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.628 -5.557 1.352 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.267 -5.211 3.058 1.00 0.00 C ATOM 148 CZ TYR A 11 4.942 -5.538 1.762 1.00 0.00 C ATOM 149 OH TYR A 11 5.933 -5.856 0.875 1.00 0.00 O ATOM 0 H TYR A 11 0.661 -4.717 6.705 1.00 0.00 H new ATOM 0 HA TYR A 11 0.155 -5.840 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.222 -3.783 4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.304 -4.186 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.600 -5.254 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.522 -4.635 4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.380 -5.818 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.300 -5.202 3.374 1.00 0.00 H new ATOM 0 HH TYR A 11 6.705 -5.271 1.023 1.00 0.00 H new ATOM 159 N LYS A 12 2.522 -7.327 5.937 1.00 0.00 N ATOM 160 CA LYS A 12 3.289 -8.565 6.061 1.00 0.00 C ATOM 161 C LYS A 12 2.374 -9.776 5.920 1.00 0.00 C ATOM 162 O LYS A 12 2.663 -10.700 5.161 1.00 0.00 O ATOM 163 CB LYS A 12 4.006 -8.607 7.417 1.00 0.00 C ATOM 164 CG LYS A 12 4.707 -9.923 7.716 1.00 0.00 C ATOM 165 CD LYS A 12 5.894 -10.159 6.798 1.00 0.00 C ATOM 166 CE LYS A 12 6.569 -11.488 7.102 1.00 0.00 C ATOM 167 NZ LYS A 12 6.956 -11.601 8.533 1.00 0.00 N ATOM 0 H LYS A 12 2.625 -6.691 6.728 1.00 0.00 H new ATOM 0 HA LYS A 12 4.032 -8.593 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.740 -7.802 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.279 -8.409 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.044 -9.926 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.998 -10.744 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.562 -10.146 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.613 -9.348 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.895 -12.305 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.455 -11.596 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.600 -12.409 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.435 -10.728 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.105 -11.745 9.113 1.00 0.00 H new ATOM 181 N GLU A 13 1.260 -9.745 6.638 1.00 0.00 N ATOM 182 CA GLU A 13 0.317 -10.854 6.641 1.00 0.00 C ATOM 183 C GLU A 13 -0.335 -11.005 5.266 1.00 0.00 C ATOM 184 O GLU A 13 -0.489 -12.115 4.752 1.00 0.00 O ATOM 185 CB GLU A 13 -0.746 -10.619 7.712 1.00 0.00 C ATOM 186 CG GLU A 13 -1.429 -11.888 8.181 1.00 0.00 C ATOM 187 CD GLU A 13 -0.440 -12.907 8.696 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.334 -12.577 9.622 1.00 0.00 O ATOM 189 OE2 GLU A 13 -0.432 -14.044 8.185 1.00 0.00 O ATOM 0 H GLU A 13 0.987 -8.960 7.229 1.00 0.00 H new ATOM 0 HA GLU A 13 0.853 -11.776 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.284 -10.128 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.499 -9.935 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.143 -11.646 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.998 -12.319 7.357 1.00 0.00 H new ATOM 196 N TRP A 14 -0.704 -9.873 4.679 1.00 0.00 N ATOM 197 CA TRP A 14 -1.291 -9.837 3.347 1.00 0.00 C ATOM 198 C TRP A 14 -0.297 -10.353 2.304 1.00 0.00 C ATOM 199 O TRP A 14 -0.638 -11.205 1.480 1.00 0.00 O ATOM 200 CB TRP A 14 -1.734 -8.402 3.032 1.00 0.00 C ATOM 201 CG TRP A 14 -2.147 -8.168 1.609 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.348 -8.468 1.031 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.354 -7.555 0.590 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.341 -8.086 -0.291 1.00 0.00 N ATOM 205 CE2 TRP A 14 -2.126 -7.521 -0.581 1.00 0.00 C ATOM 206 CE3 TRP A 14 -0.059 -7.032 0.563 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.645 -6.984 -1.771 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.417 -6.500 -0.614 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.373 -6.478 -1.769 1.00 0.00 C ATOM 0 H TRP A 14 -0.604 -8.955 5.113 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.162 -10.491 3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.568 -8.143 3.685 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.916 -7.723 3.274 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.180 -8.936 1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.113 -8.204 -0.947 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.558 -7.045 1.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.253 -6.967 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.417 -6.093 -0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.029 -6.053 -2.677 1.00 0.00 H new ATOM 220 N TYR A 15 0.937 -9.854 2.361 1.00 0.00 N ATOM 221 CA TYR A 15 1.986 -10.289 1.446 1.00 0.00 C ATOM 222 C TYR A 15 2.261 -11.777 1.598 1.00 0.00 C ATOM 223 O TYR A 15 2.330 -12.500 0.613 1.00 0.00 O ATOM 224 CB TYR A 15 3.283 -9.512 1.676 1.00 0.00 C ATOM 225 CG TYR A 15 4.450 -10.094 0.909 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.431 -10.144 -0.478 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.558 -10.614 1.572 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.478 -10.696 -1.186 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.613 -11.163 0.868 1.00 0.00 C ATOM 230 CZ TYR A 15 6.567 -11.202 -0.510 1.00 0.00 C ATOM 231 OH TYR A 15 7.614 -11.748 -1.219 1.00 0.00 O ATOM 0 H TYR A 15 1.233 -9.147 3.034 1.00 0.00 H new ATOM 0 HA TYR A 15 1.629 -10.091 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.138 -8.473 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.517 -9.509 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.582 -9.744 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.594 -10.588 2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.445 -10.732 -2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.469 -11.559 1.394 1.00 0.00 H new ATOM 0 HH TYR A 15 8.304 -12.059 -0.596 1.00 0.00 H new ATOM 241 N GLU A 16 2.412 -12.226 2.837 1.00 0.00 N ATOM 242 CA GLU A 16 2.762 -13.613 3.113 1.00 0.00 C ATOM 243 C GLU A 16 1.690 -14.564 2.577 1.00 0.00 C ATOM 244 O GLU A 16 1.983 -15.701 2.209 1.00 0.00 O ATOM 245 CB GLU A 16 2.962 -13.806 4.616 1.00 0.00 C ATOM 246 CG GLU A 16 3.588 -15.138 4.991 1.00 0.00 C ATOM 247 CD GLU A 16 4.014 -15.186 6.445 1.00 0.00 C ATOM 248 OE1 GLU A 16 3.137 -15.362 7.320 1.00 0.00 O ATOM 249 OE2 GLU A 16 5.223 -15.040 6.715 1.00 0.00 O ATOM 0 H GLU A 16 2.297 -11.648 3.669 1.00 0.00 H new ATOM 0 HA GLU A 16 3.696 -13.848 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.592 -13.001 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.997 -13.717 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.875 -15.939 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.454 -15.322 4.355 1.00 0.00 H new ATOM 256 N HIS A 17 0.451 -14.087 2.516 1.00 0.00 N ATOM 257 CA HIS A 17 -0.636 -14.872 1.944 1.00 0.00 C ATOM 258 C HIS A 17 -0.588 -14.813 0.418 1.00 0.00 C ATOM 259 O HIS A 17 -0.715 -15.832 -0.256 1.00 0.00 O ATOM 260 CB HIS A 17 -1.996 -14.371 2.449 1.00 0.00 C ATOM 261 CG HIS A 17 -3.163 -15.114 1.867 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.626 -16.307 2.372 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.941 -14.837 0.796 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.633 -16.733 1.635 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.845 -15.860 0.669 1.00 0.00 N ATOM 0 H HIS A 17 0.176 -13.165 2.854 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.511 -15.907 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.026 -14.458 3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.095 -13.312 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.864 -13.969 0.158 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.191 -17.644 1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.562 -15.934 -0.052 1.00 0.00 H new ATOM 274 N LYS A 18 -0.401 -13.614 -0.118 1.00 0.00 N ATOM 275 CA LYS A 18 -0.338 -13.416 -1.564 1.00 0.00 C ATOM 276 C LYS A 18 0.897 -14.080 -2.162 1.00 0.00 C ATOM 277 O LYS A 18 0.911 -14.445 -3.337 1.00 0.00 O ATOM 278 CB LYS A 18 -0.337 -11.926 -1.895 1.00 0.00 C ATOM 279 CG LYS A 18 -1.708 -11.275 -1.825 1.00 0.00 C ATOM 280 CD LYS A 18 -2.664 -11.889 -2.838 1.00 0.00 C ATOM 281 CE LYS A 18 -3.884 -11.013 -3.057 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.655 -10.801 -1.806 1.00 0.00 N ATOM 0 H LYS A 18 -0.290 -12.759 0.428 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.221 -13.882 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.333 -11.412 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.069 -11.787 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.116 -11.389 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.615 -10.205 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.146 -12.036 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.979 -12.873 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.570 -10.048 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.529 -11.472 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.124 -9.873 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.372 -11.548 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.010 -10.833 -0.991 1.00 0.00 H new ATOM 296 N LYS A 19 1.921 -14.235 -1.338 1.00 0.00 N ATOM 297 CA LYS A 19 3.169 -14.873 -1.742 1.00 0.00 C ATOM 298 C LYS A 19 2.926 -16.316 -2.188 1.00 0.00 C ATOM 299 O LYS A 19 3.697 -16.877 -2.967 1.00 0.00 O ATOM 300 CB LYS A 19 4.157 -14.836 -0.573 1.00 0.00 C ATOM 301 CG LYS A 19 5.518 -15.422 -0.893 1.00 0.00 C ATOM 302 CD LYS A 19 6.423 -15.404 0.325 1.00 0.00 C ATOM 303 CE LYS A 19 7.767 -16.039 0.025 1.00 0.00 C ATOM 304 NZ LYS A 19 7.633 -17.462 -0.389 1.00 0.00 N ATOM 0 H LYS A 19 1.913 -13.922 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 19 3.586 -14.328 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.285 -13.802 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.728 -15.380 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.402 -16.446 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.980 -14.855 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.570 -14.376 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.942 -15.937 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.265 -15.477 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.402 -15.977 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.559 -17.932 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.955 -17.943 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.292 -17.507 -1.370 1.00 0.00 H new ATOM 318 N GLN A 20 1.845 -16.908 -1.693 1.00 0.00 N ATOM 319 CA GLN A 20 1.478 -18.269 -2.063 1.00 0.00 C ATOM 320 C GLN A 20 0.921 -18.309 -3.483 1.00 0.00 C ATOM 321 O GLN A 20 0.973 -19.342 -4.152 1.00 0.00 O ATOM 322 CB GLN A 20 0.434 -18.822 -1.090 1.00 0.00 C ATOM 323 CG GLN A 20 0.918 -18.922 0.348 1.00 0.00 C ATOM 324 CD GLN A 20 -0.176 -19.378 1.297 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.357 -19.098 1.086 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.207 -20.087 2.345 1.00 0.00 N ATOM 0 H GLN A 20 1.206 -16.465 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 20 2.376 -18.886 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.450 -18.185 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.126 -19.811 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.754 -19.620 0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.293 -17.951 0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.195 -20.298 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.486 -20.423 3.014 1.00 0.00 H new ATOM 335 N VAL A 21 0.399 -17.178 -3.940 1.00 0.00 N ATOM 336 CA VAL A 21 -0.251 -17.106 -5.241 1.00 0.00 C ATOM 337 C VAL A 21 0.690 -16.530 -6.294 1.00 0.00 C ATOM 338 O VAL A 21 0.752 -17.020 -7.422 1.00 0.00 O ATOM 339 CB VAL A 21 -1.535 -16.248 -5.181 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.264 -16.268 -6.518 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.449 -16.731 -4.065 1.00 0.00 C ATOM 0 H VAL A 21 0.414 -16.296 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.519 -18.125 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.246 -15.219 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.164 -15.657 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.611 -15.868 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.539 -17.293 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.348 -16.115 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.726 -17.770 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.929 -16.655 -3.110 1.00 0.00 H new ATOM 351 N TRP A 22 1.424 -15.495 -5.918 1.00 0.00 N ATOM 352 CA TRP A 22 2.322 -14.819 -6.847 1.00 0.00 C ATOM 353 C TRP A 22 3.583 -15.635 -7.084 1.00 0.00 C ATOM 354 O TRP A 22 3.969 -16.461 -6.255 1.00 0.00 O ATOM 355 CB TRP A 22 2.726 -13.442 -6.316 1.00 0.00 C ATOM 356 CG TRP A 22 1.586 -12.491 -6.122 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.393 -12.477 -6.787 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.552 -11.391 -5.209 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.388 -11.442 -6.329 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.304 -10.761 -5.359 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.455 -10.885 -4.269 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.060 -9.645 -4.609 1.00 0.00 C ATOM 363 CZ3 TRP A 22 2.093 -9.779 -3.527 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.844 -9.170 -3.699 1.00 0.00 C ATOM 0 H TRP A 22 1.417 -15.103 -4.976 1.00 0.00 H new ATOM 0 HA TRP A 22 1.781 -14.705 -7.786 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.241 -13.571 -5.364 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.441 -12.996 -7.007 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.106 -13.176 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.327 -11.217 -6.656 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.419 -11.351 -4.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.022 -9.172 -4.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.785 -9.377 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.589 -8.308 -3.101 1.00 0.00 H new ATOM 375 N SER A 23 4.215 -15.406 -8.225 1.00 0.00 N ATOM 376 CA SER A 23 5.512 -15.992 -8.512 1.00 0.00 C ATOM 377 C SER A 23 6.559 -15.348 -7.606 1.00 0.00 C ATOM 378 O SER A 23 6.455 -14.166 -7.292 1.00 0.00 O ATOM 379 CB SER A 23 5.861 -15.775 -9.984 1.00 0.00 C ATOM 380 OG SER A 23 4.778 -16.163 -10.817 1.00 0.00 O ATOM 0 H SER A 23 3.847 -14.815 -8.970 1.00 0.00 H new ATOM 0 HA SER A 23 5.489 -17.065 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.101 -14.726 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.750 -16.351 -10.241 1.00 0.00 H new ATOM 0 HG SER A 23 5.018 -16.016 -11.756 1.00 0.00 H new ATOM 386 N VAL A 24 7.557 -16.118 -7.193 1.00 0.00 N ATOM 387 CA VAL A 24 8.527 -15.662 -6.195 1.00 0.00 C ATOM 388 C VAL A 24 9.238 -14.383 -6.625 1.00 0.00 C ATOM 389 O VAL A 24 9.376 -13.451 -5.827 1.00 0.00 O ATOM 390 CB VAL A 24 9.565 -16.755 -5.893 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.531 -16.307 -4.802 1.00 0.00 C ATOM 392 CG2 VAL A 24 8.852 -18.031 -5.491 1.00 0.00 C ATOM 0 H VAL A 24 7.720 -17.066 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 24 7.961 -15.445 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 24 10.152 -16.942 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.254 -17.099 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.055 -15.408 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.975 -16.093 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.587 -18.807 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.250 -17.846 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.206 -18.359 -6.305 1.00 0.00 H new ATOM 402 N GLY A 25 9.684 -14.339 -7.874 1.00 0.00 N ATOM 403 CA GLY A 25 10.333 -13.148 -8.386 1.00 0.00 C ATOM 404 C GLY A 25 9.431 -11.931 -8.309 1.00 0.00 C ATOM 405 O GLY A 25 9.829 -10.883 -7.794 1.00 0.00 O ATOM 0 H GLY A 25 9.608 -15.107 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.245 -12.960 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.630 -13.314 -9.421 1.00 0.00 H new ATOM 409 N TYR A 26 8.213 -12.083 -8.811 1.00 0.00 N ATOM 410 CA TYR A 26 7.215 -11.021 -8.773 1.00 0.00 C ATOM 411 C TYR A 26 6.850 -10.661 -7.333 1.00 0.00 C ATOM 412 O TYR A 26 6.744 -9.483 -6.991 1.00 0.00 O ATOM 413 CB TYR A 26 5.966 -11.454 -9.548 1.00 0.00 C ATOM 414 CG TYR A 26 4.821 -10.463 -9.497 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.879 -9.263 -10.193 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.678 -10.739 -8.759 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.829 -8.364 -10.152 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.622 -9.849 -8.716 1.00 0.00 C ATOM 419 CZ TYR A 26 2.702 -8.663 -9.414 1.00 0.00 C ATOM 420 OH TYR A 26 1.649 -7.775 -9.379 1.00 0.00 O ATOM 0 H TYR A 26 7.889 -12.942 -9.255 1.00 0.00 H new ATOM 0 HA TYR A 26 7.638 -10.133 -9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.240 -11.621 -10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.621 -12.409 -9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.758 -9.028 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.613 -11.666 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.891 -7.432 -10.695 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.739 -10.081 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 26 0.934 -8.138 -8.815 1.00 0.00 H new ATOM 430 N ALA A 27 6.675 -11.676 -6.489 1.00 0.00 N ATOM 431 CA ALA A 27 6.264 -11.456 -5.109 1.00 0.00 C ATOM 432 C ALA A 27 7.312 -10.655 -4.347 1.00 0.00 C ATOM 433 O ALA A 27 6.993 -9.670 -3.685 1.00 0.00 O ATOM 434 CB ALA A 27 6.003 -12.785 -4.413 1.00 0.00 C ATOM 0 H ALA A 27 6.812 -12.656 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 27 5.339 -10.879 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.697 -12.602 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.212 -13.321 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.913 -13.384 -4.420 1.00 0.00 H new ATOM 440 N THR A 28 8.563 -11.072 -4.457 1.00 0.00 N ATOM 441 CA THR A 28 9.650 -10.416 -3.748 1.00 0.00 C ATOM 442 C THR A 28 9.862 -8.993 -4.271 1.00 0.00 C ATOM 443 O THR A 28 10.143 -8.074 -3.502 1.00 0.00 O ATOM 444 CB THR A 28 10.952 -11.227 -3.879 1.00 0.00 C ATOM 445 OG1 THR A 28 10.692 -12.600 -3.551 1.00 0.00 O ATOM 446 CG2 THR A 28 12.035 -10.681 -2.961 1.00 0.00 C ATOM 0 H THR A 28 8.851 -11.864 -5.032 1.00 0.00 H new ATOM 0 HA THR A 28 9.377 -10.360 -2.694 1.00 0.00 H new ATOM 0 HB THR A 28 11.305 -11.148 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.259 -13.041 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.942 -11.274 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.244 -9.644 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.696 -10.734 -1.927 1.00 0.00 H new ATOM 454 N GLU A 29 9.689 -8.812 -5.575 1.00 0.00 N ATOM 455 CA GLU A 29 9.849 -7.501 -6.190 1.00 0.00 C ATOM 456 C GLU A 29 8.729 -6.565 -5.750 1.00 0.00 C ATOM 457 O GLU A 29 8.976 -5.420 -5.366 1.00 0.00 O ATOM 458 CB GLU A 29 9.863 -7.628 -7.712 1.00 0.00 C ATOM 459 CG GLU A 29 10.099 -6.312 -8.430 1.00 0.00 C ATOM 460 CD GLU A 29 10.171 -6.480 -9.929 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.110 -6.474 -10.583 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.288 -6.630 -10.463 1.00 0.00 O ATOM 0 H GLU A 29 9.438 -9.556 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 29 10.801 -7.081 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.640 -8.335 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.912 -8.047 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.296 -5.617 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.027 -5.867 -8.072 1.00 0.00 H new ATOM 469 N LEU A 30 7.500 -7.063 -5.800 1.00 0.00 N ATOM 470 CA LEU A 30 6.345 -6.293 -5.362 1.00 0.00 C ATOM 471 C LEU A 30 6.505 -5.918 -3.894 1.00 0.00 C ATOM 472 O LEU A 30 6.229 -4.790 -3.492 1.00 0.00 O ATOM 473 CB LEU A 30 5.054 -7.102 -5.587 1.00 0.00 C ATOM 474 CG LEU A 30 3.734 -6.375 -5.291 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.609 -6.977 -6.114 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.382 -6.453 -3.810 1.00 0.00 C ATOM 0 H LEU A 30 7.278 -7.999 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 30 6.277 -5.376 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.036 -7.435 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.098 -7.997 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 30 3.862 -5.327 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.678 -6.454 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.841 -6.878 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.499 -8.032 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.443 -5.930 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.277 -7.497 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.174 -5.988 -3.223 1.00 0.00 H new ATOM 488 N ALA A 31 6.982 -6.865 -3.105 1.00 0.00 N ATOM 489 CA ALA A 31 7.171 -6.638 -1.685 1.00 0.00 C ATOM 490 C ALA A 31 8.266 -5.609 -1.423 1.00 0.00 C ATOM 491 O ALA A 31 8.164 -4.811 -0.493 1.00 0.00 O ATOM 492 CB ALA A 31 7.490 -7.943 -0.975 1.00 0.00 C ATOM 0 H ALA A 31 7.245 -7.797 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 31 6.238 -6.239 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.629 -7.754 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.667 -8.644 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.404 -8.369 -1.390 1.00 0.00 H new ATOM 498 N LYS A 32 9.308 -5.602 -2.241 1.00 0.00 N ATOM 499 CA LYS A 32 10.413 -4.701 -1.984 1.00 0.00 C ATOM 500 C LYS A 32 10.174 -3.319 -2.587 1.00 0.00 C ATOM 501 O LYS A 32 10.870 -2.361 -2.246 1.00 0.00 O ATOM 502 CB LYS A 32 11.746 -5.266 -2.463 1.00 0.00 C ATOM 503 CG LYS A 32 12.883 -4.838 -1.554 1.00 0.00 C ATOM 504 CD LYS A 32 14.248 -5.138 -2.134 1.00 0.00 C ATOM 505 CE LYS A 32 15.339 -4.756 -1.147 1.00 0.00 C ATOM 506 NZ LYS A 32 15.100 -3.414 -0.545 1.00 0.00 N ATOM 0 H LYS A 32 9.409 -6.194 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 32 10.468 -4.594 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.692 -6.354 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.943 -4.927 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.803 -3.768 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.783 -5.344 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.322 -6.198 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.383 -4.589 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.391 -5.504 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.304 -4.760 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.970 -3.080 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.824 -2.743 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.338 -3.480 0.160 1.00 0.00 H new ATOM 520 N MET A 33 9.198 -3.196 -3.479 1.00 0.00 N ATOM 521 CA MET A 33 8.803 -1.873 -3.940 1.00 0.00 C ATOM 522 C MET A 33 7.969 -1.214 -2.847 1.00 0.00 C ATOM 523 O MET A 33 8.011 0.000 -2.658 1.00 0.00 O ATOM 524 CB MET A 33 8.055 -1.918 -5.283 1.00 0.00 C ATOM 525 CG MET A 33 6.624 -2.415 -5.203 1.00 0.00 C ATOM 526 SD MET A 33 5.819 -2.468 -6.818 1.00 0.00 S ATOM 527 CE MET A 33 4.155 -2.932 -6.343 1.00 0.00 C ATOM 0 H MET A 33 8.679 -3.973 -3.887 1.00 0.00 H new ATOM 0 HA MET A 33 9.697 -1.279 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.053 -0.917 -5.714 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.609 -2.559 -5.969 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.613 -3.412 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.054 -1.766 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.778 -3.689 -7.031 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.165 -3.335 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.509 -2.055 -6.379 1.00 0.00 H new ATOM 537 N PHE A 34 7.239 -2.040 -2.099 1.00 0.00 N ATOM 538 CA PHE A 34 6.586 -1.587 -0.880 1.00 0.00 C ATOM 539 C PHE A 34 7.644 -1.225 0.152 1.00 0.00 C ATOM 540 O PHE A 34 7.532 -0.227 0.853 1.00 0.00 O ATOM 541 CB PHE A 34 5.671 -2.675 -0.315 1.00 0.00 C ATOM 542 CG PHE A 34 4.285 -2.668 -0.890 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.070 -2.924 -2.232 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.197 -2.404 -0.077 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.793 -2.919 -2.755 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.918 -2.398 -0.592 1.00 0.00 C ATOM 547 CZ PHE A 34 1.716 -2.655 -1.933 1.00 0.00 C ATOM 0 H PHE A 34 7.087 -3.024 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 34 5.978 -0.713 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.125 -3.649 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.605 -2.554 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.911 -3.130 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.351 -2.200 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.637 -3.121 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.076 -2.193 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.715 -2.650 -2.339 1.00 0.00 H new ATOM 557 N ASP A 35 8.674 -2.056 0.223 1.00 0.00 N ATOM 558 CA ASP A 35 9.796 -1.832 1.125 1.00 0.00 C ATOM 559 C ASP A 35 10.468 -0.486 0.852 1.00 0.00 C ATOM 560 O ASP A 35 10.286 0.467 1.608 1.00 0.00 O ATOM 561 CB ASP A 35 10.810 -2.977 0.982 1.00 0.00 C ATOM 562 CG ASP A 35 12.073 -2.784 1.802 1.00 0.00 C ATOM 563 OD1 ASP A 35 12.006 -2.883 3.043 1.00 0.00 O ATOM 564 OD2 ASP A 35 13.146 -2.552 1.205 1.00 0.00 O ATOM 0 H ASP A 35 8.756 -2.902 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 35 9.418 -1.810 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.334 -3.911 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.082 -3.079 -0.068 1.00 0.00 H new ATOM 569 N ASP A 36 11.190 -0.407 -0.260 1.00 0.00 N ATOM 570 CA ASP A 36 12.036 0.752 -0.562 1.00 0.00 C ATOM 571 C ASP A 36 11.250 2.048 -0.732 1.00 0.00 C ATOM 572 O ASP A 36 11.757 3.123 -0.413 1.00 0.00 O ATOM 573 CB ASP A 36 12.868 0.508 -1.826 1.00 0.00 C ATOM 574 CG ASP A 36 14.148 -0.252 -1.553 1.00 0.00 C ATOM 575 OD1 ASP A 36 15.030 0.296 -0.858 1.00 0.00 O ATOM 576 OD2 ASP A 36 14.286 -1.398 -2.037 1.00 0.00 O ATOM 0 H ASP A 36 11.209 -1.135 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 36 12.688 0.870 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.269 -0.048 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.112 1.466 -2.285 1.00 0.00 H new ATOM 581 N ASP A 37 10.029 1.961 -1.238 1.00 0.00 N ATOM 582 CA ASP A 37 9.275 3.167 -1.568 1.00 0.00 C ATOM 583 C ASP A 37 8.217 3.490 -0.520 1.00 0.00 C ATOM 584 O ASP A 37 8.088 4.637 -0.101 1.00 0.00 O ATOM 585 CB ASP A 37 8.618 3.037 -2.948 1.00 0.00 C ATOM 586 CG ASP A 37 9.623 2.983 -4.082 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.071 4.054 -4.551 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.974 1.870 -4.519 1.00 0.00 O ATOM 0 H ASP A 37 9.543 1.085 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 37 9.989 3.990 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.006 2.135 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.947 3.881 -3.105 1.00 0.00 H new ATOM 593 N ILE A 38 7.475 2.484 -0.081 1.00 0.00 N ATOM 594 CA ILE A 38 6.304 2.714 0.761 1.00 0.00 C ATOM 595 C ILE A 38 6.643 2.721 2.252 1.00 0.00 C ATOM 596 O ILE A 38 6.049 3.483 3.019 1.00 0.00 O ATOM 597 CB ILE A 38 5.211 1.657 0.484 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.889 1.636 -1.012 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.958 1.936 1.305 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.715 0.756 -1.382 1.00 0.00 C ATOM 0 H ILE A 38 7.660 1.503 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 38 5.930 3.704 0.501 1.00 0.00 H new ATOM 0 HB ILE A 38 5.585 0.677 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.684 2.654 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.770 1.296 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.206 1.177 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.205 1.912 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.565 2.919 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.554 0.798 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.923 -0.272 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.820 1.108 -0.868 1.00 0.00 H new ATOM 612 N LEU A 39 7.602 1.899 2.670 1.00 0.00 N ATOM 613 CA LEU A 39 7.912 1.775 4.094 1.00 0.00 C ATOM 614 C LEU A 39 8.465 3.075 4.694 1.00 0.00 C ATOM 615 O LEU A 39 8.043 3.470 5.780 1.00 0.00 O ATOM 616 CB LEU A 39 8.863 0.606 4.358 1.00 0.00 C ATOM 617 CG LEU A 39 8.287 -0.779 4.049 1.00 0.00 C ATOM 618 CD1 LEU A 39 9.204 -1.869 4.578 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.886 -0.924 4.631 1.00 0.00 C ATOM 0 H LEU A 39 8.171 1.317 2.055 1.00 0.00 H new ATOM 0 HA LEU A 39 6.967 1.569 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.765 0.749 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.165 0.632 5.405 1.00 0.00 H new ATOM 0 HG LEU A 39 8.217 -0.886 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.778 -2.846 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.183 -1.781 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.310 -1.763 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.497 -1.915 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.926 -0.793 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.232 -0.167 4.198 1.00 0.00 H new ATOM 631 N PRO A 40 9.407 3.773 4.018 1.00 0.00 N ATOM 632 CA PRO A 40 9.894 5.080 4.487 1.00 0.00 C ATOM 633 C PRO A 40 8.787 6.136 4.532 1.00 0.00 C ATOM 634 O PRO A 40 8.949 7.189 5.148 1.00 0.00 O ATOM 635 CB PRO A 40 10.953 5.473 3.450 1.00 0.00 C ATOM 636 CG PRO A 40 11.345 4.195 2.797 1.00 0.00 C ATOM 637 CD PRO A 40 10.108 3.350 2.790 1.00 0.00 C ATOM 0 HA PRO A 40 10.278 5.019 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.551 6.180 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.809 5.954 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.707 4.368 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.151 3.706 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.504 3.527 1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.346 2.286 2.808 1.00 0.00 H new ATOM 645 N ILE A 41 7.665 5.848 3.883 1.00 0.00 N ATOM 646 CA ILE A 41 6.557 6.791 3.817 1.00 0.00 C ATOM 647 C ILE A 41 5.525 6.513 4.909 1.00 0.00 C ATOM 648 O ILE A 41 5.332 7.334 5.807 1.00 0.00 O ATOM 649 CB ILE A 41 5.864 6.756 2.434 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.873 7.048 1.317 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.712 7.751 2.382 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.561 8.393 1.435 1.00 0.00 C ATOM 0 H ILE A 41 7.499 4.968 3.395 1.00 0.00 H new ATOM 0 HA ILE A 41 6.979 7.784 3.973 1.00 0.00 H new ATOM 0 HB ILE A 41 5.460 5.755 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.631 6.264 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.359 6.999 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.239 7.709 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.979 7.500 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.092 8.757 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.258 8.519 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.815 9.187 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.106 8.441 2.378 1.00 0.00 H new ATOM 664 N ILE A 42 4.868 5.358 4.839 1.00 0.00 N ATOM 665 CA ILE A 42 3.801 5.031 5.786 1.00 0.00 C ATOM 666 C ILE A 42 4.009 3.662 6.419 1.00 0.00 C ATOM 667 O ILE A 42 3.129 3.159 7.116 1.00 0.00 O ATOM 668 CB ILE A 42 2.411 5.023 5.115 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.349 3.935 4.042 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.091 6.385 4.519 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.942 3.503 3.705 1.00 0.00 C ATOM 0 H ILE A 42 5.052 4.636 4.142 1.00 0.00 H new ATOM 0 HA ILE A 42 3.841 5.810 6.548 1.00 0.00 H new ATOM 0 HB ILE A 42 1.661 4.804 5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.835 4.300 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.916 3.068 4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.107 6.355 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.096 7.137 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.841 6.640 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.973 2.730 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.459 3.108 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.377 4.359 3.335 1.00 0.00 H new ATOM 683 N GLY A 43 5.173 3.070 6.189 1.00 0.00 N ATOM 684 CA GLY A 43 5.422 1.717 6.651 1.00 0.00 C ATOM 685 C GLY A 43 5.253 1.569 8.149 1.00 0.00 C ATOM 686 O GLY A 43 4.705 0.570 8.629 1.00 0.00 O ATOM 0 H GLY A 43 5.951 3.502 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.741 1.033 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.434 1.423 6.373 1.00 0.00 H new ATOM 690 N GLY A 44 5.697 2.572 8.889 1.00 0.00 N ATOM 691 CA GLY A 44 5.638 2.503 10.331 1.00 0.00 C ATOM 692 C GLY A 44 4.436 3.226 10.904 1.00 0.00 C ATOM 693 O GLY A 44 4.399 3.521 12.099 1.00 0.00 O ATOM 0 H GLY A 44 6.097 3.433 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.609 1.458 10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.548 2.933 10.748 1.00 0.00 H new ATOM 697 N LEU A 45 3.455 3.520 10.061 1.00 0.00 N ATOM 698 CA LEU A 45 2.247 4.189 10.515 1.00 0.00 C ATOM 699 C LEU A 45 1.143 3.176 10.795 1.00 0.00 C ATOM 700 O LEU A 45 1.098 2.105 10.182 1.00 0.00 O ATOM 701 CB LEU A 45 1.782 5.215 9.478 1.00 0.00 C ATOM 702 CG LEU A 45 2.700 6.428 9.314 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.258 7.282 8.137 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.715 7.256 10.592 1.00 0.00 C ATOM 0 H LEU A 45 3.473 3.306 9.064 1.00 0.00 H new ATOM 0 HA LEU A 45 2.474 4.713 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.687 4.717 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.788 5.565 9.755 1.00 0.00 H new ATOM 0 HG LEU A 45 3.710 6.069 9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.924 8.139 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.293 6.688 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.239 7.632 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.372 8.116 10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.705 7.602 10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.078 6.644 11.418 1.00 0.00 H new ATOM 716 N GLU A 46 0.278 3.508 11.741 1.00 0.00 N ATOM 717 CA GLU A 46 -0.855 2.662 12.083 1.00 0.00 C ATOM 718 C GLU A 46 -1.907 2.741 10.987 1.00 0.00 C ATOM 719 O GLU A 46 -2.319 3.831 10.597 1.00 0.00 O ATOM 720 CB GLU A 46 -1.444 3.096 13.426 1.00 0.00 C ATOM 721 CG GLU A 46 -0.473 2.923 14.581 1.00 0.00 C ATOM 722 CD GLU A 46 -0.908 3.658 15.827 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.862 3.206 16.494 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.280 4.689 16.158 1.00 0.00 O ATOM 0 H GLU A 46 0.340 4.365 12.290 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.519 1.629 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.744 4.142 13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.345 2.517 13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.371 1.862 14.808 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.511 3.281 14.279 1.00 0.00 H new ATOM 731 N ILE A 47 -2.345 1.585 10.507 1.00 0.00 N ATOM 732 CA ILE A 47 -3.245 1.502 9.359 1.00 0.00 C ATOM 733 C ILE A 47 -4.579 2.214 9.618 1.00 0.00 C ATOM 734 O ILE A 47 -5.288 2.588 8.686 1.00 0.00 O ATOM 735 CB ILE A 47 -3.503 0.027 8.971 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.106 -0.067 7.568 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.418 -0.644 9.990 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.198 -1.484 7.042 1.00 0.00 C ATOM 0 H ILE A 47 -2.089 0.679 10.899 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.751 2.011 8.531 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.547 -0.496 8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.103 0.373 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.503 0.528 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.588 -1.681 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.950 -0.615 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.371 -0.117 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.635 -1.474 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.200 -1.921 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.825 -2.079 7.706 1.00 0.00 H new ATOM 750 N GLN A 48 -4.904 2.414 10.889 1.00 0.00 N ATOM 751 CA GLN A 48 -6.152 3.071 11.259 1.00 0.00 C ATOM 752 C GLN A 48 -6.025 4.584 11.146 1.00 0.00 C ATOM 753 O GLN A 48 -7.021 5.288 10.971 1.00 0.00 O ATOM 754 CB GLN A 48 -6.549 2.719 12.689 1.00 0.00 C ATOM 755 CG GLN A 48 -6.657 1.232 12.959 1.00 0.00 C ATOM 756 CD GLN A 48 -7.289 0.950 14.304 1.00 0.00 C ATOM 757 OE1 GLN A 48 -7.180 1.750 15.233 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.936 -0.193 14.421 1.00 0.00 N ATOM 0 H GLN A 48 -4.323 2.132 11.679 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.919 2.718 10.570 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.817 3.148 13.373 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.507 3.187 12.913 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.249 0.762 12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.665 0.783 12.922 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.001 -0.826 13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.371 -0.444 15.309 1.00 0.00 H new ATOM 767 N ASP A 49 -4.803 5.081 11.257 1.00 0.00 N ATOM 768 CA ASP A 49 -4.568 6.516 11.262 1.00 0.00 C ATOM 769 C ASP A 49 -3.428 6.877 10.323 1.00 0.00 C ATOM 770 O ASP A 49 -2.289 7.089 10.744 1.00 0.00 O ATOM 771 CB ASP A 49 -4.276 7.015 12.680 1.00 0.00 C ATOM 772 CG ASP A 49 -4.184 8.526 12.756 1.00 0.00 C ATOM 773 OD1 ASP A 49 -5.110 9.211 12.271 1.00 0.00 O ATOM 774 OD2 ASP A 49 -3.196 9.037 13.327 1.00 0.00 O ATOM 0 H ASP A 49 -3.960 4.513 11.345 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.474 7.008 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.060 6.668 13.353 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.340 6.579 13.030 1.00 0.00 H new ATOM 779 N ILE A 50 -3.740 6.896 9.040 1.00 0.00 N ATOM 780 CA ILE A 50 -2.791 7.293 8.019 1.00 0.00 C ATOM 781 C ILE A 50 -3.333 8.503 7.276 1.00 0.00 C ATOM 782 O ILE A 50 -4.511 8.535 6.913 1.00 0.00 O ATOM 783 CB ILE A 50 -2.516 6.150 7.010 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.922 4.937 7.728 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.580 6.620 5.902 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.671 3.752 6.818 1.00 0.00 C ATOM 0 H ILE A 50 -4.658 6.637 8.678 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.849 7.536 8.511 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.464 5.859 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.983 5.228 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.597 4.633 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.401 5.801 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.036 7.455 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.633 6.940 6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.250 2.931 7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.611 3.433 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.971 4.038 6.033 1.00 0.00 H new ATOM 798 N GLU A 51 -2.485 9.499 7.065 1.00 0.00 N ATOM 799 CA GLU A 51 -2.890 10.687 6.339 1.00 0.00 C ATOM 800 C GLU A 51 -3.185 10.337 4.888 1.00 0.00 C ATOM 801 O GLU A 51 -2.377 9.695 4.221 1.00 0.00 O ATOM 802 CB GLU A 51 -1.791 11.752 6.400 1.00 0.00 C ATOM 803 CG GLU A 51 -1.636 12.395 7.767 1.00 0.00 C ATOM 804 CD GLU A 51 -2.851 13.206 8.158 1.00 0.00 C ATOM 805 OE1 GLU A 51 -3.055 14.295 7.581 1.00 0.00 O ATOM 806 OE2 GLU A 51 -3.617 12.755 9.037 1.00 0.00 O ATOM 0 H GLU A 51 -1.517 9.506 7.386 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.792 11.085 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.842 11.299 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.009 12.528 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.463 11.620 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.756 13.039 7.766 1.00 0.00 H new ATOM 813 N PRO A 52 -4.359 10.748 4.385 1.00 0.00 N ATOM 814 CA PRO A 52 -4.748 10.513 2.989 1.00 0.00 C ATOM 815 C PRO A 52 -3.720 11.088 2.025 1.00 0.00 C ATOM 816 O PRO A 52 -3.485 10.549 0.944 1.00 0.00 O ATOM 817 CB PRO A 52 -6.081 11.254 2.856 1.00 0.00 C ATOM 818 CG PRO A 52 -6.609 11.345 4.245 1.00 0.00 C ATOM 819 CD PRO A 52 -5.407 11.459 5.138 1.00 0.00 C ATOM 0 HA PRO A 52 -4.820 9.452 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.941 12.244 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.770 10.714 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.263 12.210 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.200 10.464 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.137 12.499 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.584 11.002 6.111 1.00 0.00 H new ATOM 827 N MET A 53 -3.087 12.172 2.447 1.00 0.00 N ATOM 828 CA MET A 53 -2.077 12.836 1.643 1.00 0.00 C ATOM 829 C MET A 53 -0.744 12.092 1.743 1.00 0.00 C ATOM 830 O MET A 53 0.081 12.156 0.837 1.00 0.00 O ATOM 831 CB MET A 53 -1.928 14.288 2.102 1.00 0.00 C ATOM 832 CG MET A 53 -1.127 15.161 1.150 1.00 0.00 C ATOM 833 SD MET A 53 -1.235 16.912 1.572 1.00 0.00 S ATOM 834 CE MET A 53 -3.005 17.174 1.447 1.00 0.00 C ATOM 0 H MET A 53 -3.259 12.613 3.351 1.00 0.00 H new ATOM 0 HA MET A 53 -2.387 12.830 0.598 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.920 14.722 2.228 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.448 14.301 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.083 14.849 1.166 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.488 15.012 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.201 18.213 1.184 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.416 16.521 0.677 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.475 16.947 2.404 1.00 0.00 H new ATOM 844 N GLN A 54 -0.554 11.364 2.841 1.00 0.00 N ATOM 845 CA GLN A 54 0.632 10.528 3.008 1.00 0.00 C ATOM 846 C GLN A 54 0.484 9.240 2.212 1.00 0.00 C ATOM 847 O GLN A 54 1.457 8.707 1.686 1.00 0.00 O ATOM 848 CB GLN A 54 0.875 10.210 4.483 1.00 0.00 C ATOM 849 CG GLN A 54 1.998 11.023 5.099 1.00 0.00 C ATOM 850 CD GLN A 54 2.183 10.732 6.574 1.00 0.00 C ATOM 851 OE1 GLN A 54 1.226 10.428 7.287 1.00 0.00 O ATOM 852 NE2 GLN A 54 3.420 10.806 7.038 1.00 0.00 N ATOM 0 H GLN A 54 -1.204 11.336 3.626 1.00 0.00 H new ATOM 0 HA GLN A 54 1.493 11.081 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.043 10.391 5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.106 9.150 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.928 10.811 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.790 12.084 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.185 11.062 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.609 10.607 8.020 1.00 0.00 H new ATOM 861 N LEU A 55 -0.741 8.745 2.126 1.00 0.00 N ATOM 862 CA LEU A 55 -1.037 7.608 1.268 1.00 0.00 C ATOM 863 C LEU A 55 -0.857 8.030 -0.188 1.00 0.00 C ATOM 864 O LEU A 55 -0.406 7.255 -1.034 1.00 0.00 O ATOM 865 CB LEU A 55 -2.462 7.106 1.519 1.00 0.00 C ATOM 866 CG LEU A 55 -2.824 5.791 0.825 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.910 4.668 1.294 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.279 5.438 1.090 1.00 0.00 C ATOM 0 H LEU A 55 -1.544 9.111 2.638 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.354 6.789 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.602 6.981 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.163 7.875 1.193 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.686 5.918 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.183 3.741 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.876 4.918 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.015 4.539 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.523 4.500 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.437 5.329 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.921 6.231 0.707 1.00 0.00 H new ATOM 880 N LEU A 56 -1.197 9.286 -0.459 1.00 0.00 N ATOM 881 CA LEU A 56 -0.970 9.880 -1.765 1.00 0.00 C ATOM 882 C LEU A 56 0.529 10.044 -1.999 1.00 0.00 C ATOM 883 O LEU A 56 0.996 9.935 -3.124 1.00 0.00 O ATOM 884 CB LEU A 56 -1.712 11.226 -1.867 1.00 0.00 C ATOM 885 CG LEU A 56 -1.646 11.963 -3.218 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.384 12.806 -3.321 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.723 10.983 -4.381 1.00 0.00 C ATOM 0 H LEU A 56 -1.634 9.913 0.216 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.364 9.225 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.761 11.053 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.315 11.890 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.508 12.628 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.364 13.315 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.374 13.545 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.491 12.163 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.674 11.531 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.888 10.284 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.662 10.431 -4.330 1.00 0.00 H new ATOM 899 N GLU A 57 1.275 10.285 -0.924 1.00 0.00 N ATOM 900 CA GLU A 57 2.728 10.404 -1.007 1.00 0.00 C ATOM 901 C GLU A 57 3.340 9.076 -1.452 1.00 0.00 C ATOM 902 O GLU A 57 4.334 9.055 -2.174 1.00 0.00 O ATOM 903 CB GLU A 57 3.306 10.847 0.341 1.00 0.00 C ATOM 904 CG GLU A 57 4.807 11.092 0.320 1.00 0.00 C ATOM 905 CD GLU A 57 5.328 11.626 1.640 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.649 10.819 2.533 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.439 12.864 1.787 1.00 0.00 O ATOM 0 H GLU A 57 0.897 10.402 0.016 1.00 0.00 H new ATOM 0 HA GLU A 57 2.978 11.163 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.803 11.761 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.083 10.085 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.320 10.161 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.045 11.800 -0.474 1.00 0.00 H new ATOM 914 N VAL A 58 2.727 7.973 -1.030 1.00 0.00 N ATOM 915 CA VAL A 58 3.122 6.642 -1.487 1.00 0.00 C ATOM 916 C VAL A 58 2.952 6.523 -3.000 1.00 0.00 C ATOM 917 O VAL A 58 3.889 6.176 -3.722 1.00 0.00 O ATOM 918 CB VAL A 58 2.292 5.542 -0.785 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.414 4.211 -1.511 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.732 5.393 0.661 1.00 0.00 C ATOM 0 H VAL A 58 1.950 7.975 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 58 4.172 6.503 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 58 1.245 5.844 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.819 3.458 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.052 4.320 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.459 3.900 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.140 4.615 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.786 5.119 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.586 6.338 1.185 1.00 0.00 H new ATOM 930 N ILE A 59 1.753 6.827 -3.474 1.00 0.00 N ATOM 931 CA ILE A 59 1.466 6.809 -4.903 1.00 0.00 C ATOM 932 C ILE A 59 2.342 7.830 -5.632 1.00 0.00 C ATOM 933 O ILE A 59 2.850 7.570 -6.725 1.00 0.00 O ATOM 934 CB ILE A 59 -0.038 7.082 -5.171 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.839 5.777 -5.173 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.254 7.830 -6.477 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.855 5.054 -3.844 1.00 0.00 C ATOM 0 H ILE A 59 0.960 7.090 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 59 1.698 5.816 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.397 7.715 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.866 5.995 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.425 5.111 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.320 8.001 -6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.265 8.788 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.138 7.238 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.444 4.141 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.165 4.801 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.298 5.698 -3.085 1.00 0.00 H new ATOM 949 N ARG A 60 2.538 8.978 -4.993 1.00 0.00 N ATOM 950 CA ARG A 60 3.377 10.039 -5.532 1.00 0.00 C ATOM 951 C ARG A 60 4.802 9.534 -5.703 1.00 0.00 C ATOM 952 O ARG A 60 5.465 9.857 -6.676 1.00 0.00 O ATOM 953 CB ARG A 60 3.375 11.244 -4.590 1.00 0.00 C ATOM 954 CG ARG A 60 3.413 12.587 -5.297 1.00 0.00 C ATOM 955 CD ARG A 60 2.097 12.872 -6.005 1.00 0.00 C ATOM 956 NE ARG A 60 2.230 12.840 -7.458 1.00 0.00 N ATOM 957 CZ ARG A 60 1.587 11.981 -8.245 1.00 0.00 C ATOM 958 NH1 ARG A 60 0.790 11.061 -7.716 1.00 0.00 N ATOM 959 NH2 ARG A 60 1.742 12.040 -9.562 1.00 0.00 N ATOM 0 H ARG A 60 2.120 9.198 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 60 2.979 10.341 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.483 11.200 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.235 11.172 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.619 13.376 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.228 12.597 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.354 12.138 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.726 13.850 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 60 2.854 13.517 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.669 11.011 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.298 10.404 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.355 12.745 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.248 11.381 -10.164 1.00 0.00 H new ATOM 973 N ARG A 61 5.249 8.736 -4.738 1.00 0.00 N ATOM 974 CA ARG A 61 6.575 8.126 -4.762 1.00 0.00 C ATOM 975 C ARG A 61 6.778 7.302 -6.032 1.00 0.00 C ATOM 976 O ARG A 61 7.792 7.443 -6.718 1.00 0.00 O ATOM 977 CB ARG A 61 6.744 7.245 -3.520 1.00 0.00 C ATOM 978 CG ARG A 61 8.005 6.397 -3.510 1.00 0.00 C ATOM 979 CD ARG A 61 9.261 7.231 -3.340 1.00 0.00 C ATOM 980 NE ARG A 61 10.452 6.387 -3.267 1.00 0.00 N ATOM 981 CZ ARG A 61 11.507 6.645 -2.497 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.520 7.728 -1.726 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.543 5.816 -2.491 1.00 0.00 N ATOM 0 H ARG A 61 4.700 8.493 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 61 7.328 8.914 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.744 7.883 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.879 6.587 -3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.943 5.669 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.069 5.835 -4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.355 7.925 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.182 7.831 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 61 10.476 5.546 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.721 8.362 -1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.329 7.925 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.531 4.981 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.351 6.014 -1.901 1.00 0.00 H new ATOM 997 N PHE A 62 5.810 6.451 -6.347 1.00 0.00 N ATOM 998 CA PHE A 62 5.889 5.621 -7.545 1.00 0.00 C ATOM 999 C PHE A 62 5.819 6.465 -8.812 1.00 0.00 C ATOM 1000 O PHE A 62 6.629 6.290 -9.725 1.00 0.00 O ATOM 1001 CB PHE A 62 4.784 4.566 -7.548 1.00 0.00 C ATOM 1002 CG PHE A 62 5.042 3.431 -6.602 1.00 0.00 C ATOM 1003 CD1 PHE A 62 5.743 2.312 -7.022 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.595 3.486 -5.294 1.00 0.00 C ATOM 1005 CE1 PHE A 62 5.986 1.265 -6.156 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.837 2.442 -4.423 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.535 1.331 -4.853 1.00 0.00 C ATOM 0 H PHE A 62 4.964 6.317 -5.793 1.00 0.00 H new ATOM 0 HA PHE A 62 6.854 5.115 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.838 5.040 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.673 4.170 -8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.103 2.258 -8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.051 4.354 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.528 0.396 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.480 2.495 -3.405 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.728 0.516 -4.172 1.00 0.00 H new ATOM 1017 N GLU A 63 4.867 7.390 -8.862 1.00 0.00 N ATOM 1018 CA GLU A 63 4.711 8.263 -10.021 1.00 0.00 C ATOM 1019 C GLU A 63 5.915 9.184 -10.188 1.00 0.00 C ATOM 1020 O GLU A 63 6.251 9.586 -11.302 1.00 0.00 O ATOM 1021 CB GLU A 63 3.435 9.096 -9.910 1.00 0.00 C ATOM 1022 CG GLU A 63 2.163 8.290 -10.100 1.00 0.00 C ATOM 1023 CD GLU A 63 0.931 9.168 -10.177 1.00 0.00 C ATOM 1024 OE1 GLU A 63 0.837 9.988 -11.113 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.061 9.067 -9.290 1.00 0.00 O ATOM 0 H GLU A 63 4.192 7.555 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 63 4.640 7.623 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.408 9.575 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.465 9.892 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.243 7.699 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.054 7.587 -9.274 1.00 0.00 H new ATOM 1032 N ASP A 64 6.556 9.516 -9.077 1.00 0.00 N ATOM 1033 CA ASP A 64 7.742 10.362 -9.094 1.00 0.00 C ATOM 1034 C ASP A 64 8.902 9.626 -9.749 1.00 0.00 C ATOM 1035 O ASP A 64 9.738 10.231 -10.421 1.00 0.00 O ATOM 1036 CB ASP A 64 8.118 10.784 -7.672 1.00 0.00 C ATOM 1037 CG ASP A 64 9.236 11.806 -7.636 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.004 12.961 -8.058 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.345 11.465 -7.181 1.00 0.00 O ATOM 0 H ASP A 64 6.273 9.210 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 64 7.522 11.258 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.239 11.197 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.419 9.903 -7.105 1.00 0.00 H new ATOM 1044 N ARG A 65 8.937 8.312 -9.559 1.00 0.00 N ATOM 1045 CA ARG A 65 9.947 7.481 -10.195 1.00 0.00 C ATOM 1046 C ARG A 65 9.544 7.127 -11.625 1.00 0.00 C ATOM 1047 O ARG A 65 10.359 6.634 -12.405 1.00 0.00 O ATOM 1048 CB ARG A 65 10.208 6.204 -9.387 1.00 0.00 C ATOM 1049 CG ARG A 65 10.915 6.456 -8.063 1.00 0.00 C ATOM 1050 CD ARG A 65 11.817 5.292 -7.669 1.00 0.00 C ATOM 1051 NE ARG A 65 11.085 4.126 -7.158 1.00 0.00 N ATOM 1052 CZ ARG A 65 11.152 2.906 -7.701 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.733 2.723 -8.880 1.00 0.00 N ATOM 1054 NH2 ARG A 65 10.614 1.869 -7.074 1.00 0.00 N ATOM 0 H ARG A 65 8.278 7.802 -8.971 1.00 0.00 H new ATOM 0 HA ARG A 65 10.871 8.059 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.258 5.706 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.810 5.521 -9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.509 7.367 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.174 6.621 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.405 4.990 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.521 5.630 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 65 10.490 4.255 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.133 3.517 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.779 1.789 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.148 2.001 -6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.666 0.939 -7.489 1.00 0.00 H new ATOM 1068 N GLY A 66 8.284 7.380 -11.972 1.00 0.00 N ATOM 1069 CA GLY A 66 7.827 7.119 -13.321 1.00 0.00 C ATOM 1070 C GLY A 66 7.137 5.778 -13.442 1.00 0.00 C ATOM 1071 O GLY A 66 6.781 5.349 -14.540 1.00 0.00 O ATOM 0 H GLY A 66 7.576 7.760 -11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.141 7.908 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.677 7.151 -14.003 1.00 0.00 H new ATOM 1075 N ALA A 67 6.957 5.109 -12.315 1.00 0.00 N ATOM 1076 CA ALA A 67 6.260 3.837 -12.290 1.00 0.00 C ATOM 1077 C ALA A 67 4.761 4.080 -12.226 1.00 0.00 C ATOM 1078 O ALA A 67 4.154 4.035 -11.157 1.00 0.00 O ATOM 1079 CB ALA A 67 6.728 2.991 -11.114 1.00 0.00 C ATOM 0 H ALA A 67 7.286 5.428 -11.404 1.00 0.00 H new ATOM 0 HA ALA A 67 6.487 3.286 -13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.193 2.041 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.798 2.805 -11.203 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.528 3.521 -10.182 1.00 0.00 H new ATOM 1085 N MET A 68 4.178 4.369 -13.380 1.00 0.00 N ATOM 1086 CA MET A 68 2.776 4.759 -13.455 1.00 0.00 C ATOM 1087 C MET A 68 1.869 3.565 -13.197 1.00 0.00 C ATOM 1088 O MET A 68 0.844 3.677 -12.524 1.00 0.00 O ATOM 1089 CB MET A 68 2.456 5.366 -14.825 1.00 0.00 C ATOM 1090 CG MET A 68 3.461 6.409 -15.296 1.00 0.00 C ATOM 1091 SD MET A 68 3.883 7.622 -14.026 1.00 0.00 S ATOM 1092 CE MET A 68 2.259 8.187 -13.533 1.00 0.00 C ATOM 0 H MET A 68 4.655 4.341 -14.281 1.00 0.00 H new ATOM 0 HA MET A 68 2.596 5.510 -12.685 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.408 4.565 -15.563 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.467 5.823 -14.786 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.370 5.905 -15.623 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.055 6.929 -16.164 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.358 9.049 -12.873 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.689 8.471 -14.417 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.739 7.386 -13.008 1.00 0.00 H new ATOM 1102 N GLU A 69 2.268 2.418 -13.718 1.00 0.00 N ATOM 1103 CA GLU A 69 1.495 1.197 -13.562 1.00 0.00 C ATOM 1104 C GLU A 69 1.655 0.646 -12.151 1.00 0.00 C ATOM 1105 O GLU A 69 0.717 0.088 -11.581 1.00 0.00 O ATOM 1106 CB GLU A 69 1.903 0.152 -14.615 1.00 0.00 C ATOM 1107 CG GLU A 69 3.268 0.394 -15.259 1.00 0.00 C ATOM 1108 CD GLU A 69 4.429 0.216 -14.299 1.00 0.00 C ATOM 1109 OE1 GLU A 69 4.738 1.171 -13.554 1.00 0.00 O ATOM 1110 OE2 GLU A 69 5.035 -0.876 -14.294 1.00 0.00 O ATOM 0 H GLU A 69 3.127 2.306 -14.256 1.00 0.00 H new ATOM 0 HA GLU A 69 0.442 1.431 -13.719 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.906 -0.833 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.145 0.130 -15.398 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.392 -0.291 -16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.295 1.405 -15.666 1.00 0.00 H new ATOM 1117 N ARG A 70 2.840 0.828 -11.583 1.00 0.00 N ATOM 1118 CA ARG A 70 3.099 0.404 -10.217 1.00 0.00 C ATOM 1119 C ARG A 70 2.466 1.366 -9.216 1.00 0.00 C ATOM 1120 O ARG A 70 2.223 1.003 -8.066 1.00 0.00 O ATOM 1121 CB ARG A 70 4.598 0.272 -9.961 1.00 0.00 C ATOM 1122 CG ARG A 70 5.250 -0.813 -10.800 1.00 0.00 C ATOM 1123 CD ARG A 70 6.679 -1.081 -10.366 1.00 0.00 C ATOM 1124 NE ARG A 70 7.303 -2.122 -11.178 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.639 -3.329 -10.724 1.00 0.00 C ATOM 1126 NH1 ARG A 70 7.406 -3.661 -9.457 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.206 -4.203 -11.538 1.00 0.00 N ATOM 0 H ARG A 70 3.635 1.266 -12.048 1.00 0.00 H new ATOM 0 HA ARG A 70 2.643 -0.576 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.082 1.226 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.763 0.056 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.668 -1.731 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.238 -0.517 -11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.261 -0.162 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.691 -1.380 -9.318 1.00 0.00 H new ATOM 0 HE ARG A 70 7.494 -1.911 -12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.968 -2.990 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.666 -4.587 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.385 -3.953 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.464 -5.128 -11.194 1.00 0.00 H new ATOM 1141 N ALA A 71 2.197 2.588 -9.658 1.00 0.00 N ATOM 1142 CA ALA A 71 1.500 3.564 -8.829 1.00 0.00 C ATOM 1143 C ALA A 71 0.056 3.133 -8.617 1.00 0.00 C ATOM 1144 O ALA A 71 -0.420 3.049 -7.481 1.00 0.00 O ATOM 1145 CB ALA A 71 1.555 4.945 -9.461 1.00 0.00 C ATOM 0 H ALA A 71 2.451 2.927 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 71 1.998 3.614 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.029 5.657 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.595 5.254 -9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.081 4.915 -10.442 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.638 2.854 -9.720 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.991 2.299 -9.652 1.00 0.00 C ATOM 1153 C ASN A 72 -1.987 0.990 -8.875 1.00 0.00 C ATOM 1154 O ASN A 72 -2.918 0.694 -8.123 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.571 2.066 -11.054 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.019 3.350 -11.725 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.401 4.308 -11.059 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.994 3.371 -13.047 1.00 0.00 N ATOM 0 H ASN A 72 -0.289 3.002 -10.667 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.621 3.024 -9.137 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.820 1.579 -11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.418 1.384 -10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.299 4.204 -13.550 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.669 2.554 -13.564 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.925 0.210 -9.059 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.748 -1.033 -8.323 1.00 0.00 C ATOM 1167 C LYS A 73 -0.717 -0.765 -6.826 1.00 0.00 C ATOM 1168 O LYS A 73 -1.533 -1.307 -6.089 1.00 0.00 O ATOM 1169 CB LYS A 73 0.542 -1.735 -8.750 1.00 0.00 C ATOM 1170 CG LYS A 73 0.325 -3.042 -9.494 1.00 0.00 C ATOM 1171 CD LYS A 73 -0.524 -2.852 -10.736 1.00 0.00 C ATOM 1172 CE LYS A 73 -0.531 -4.105 -11.595 1.00 0.00 C ATOM 1173 NZ LYS A 73 -1.427 -3.969 -12.772 1.00 0.00 N ATOM 0 H LYS A 73 -0.173 0.420 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.593 -1.683 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.116 -1.060 -9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.146 -1.931 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.290 -3.464 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.157 -3.761 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.544 -2.601 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.141 -2.012 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.483 -4.318 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.851 -4.955 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.402 -4.846 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.400 -3.792 -12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.108 -3.174 -13.361 1.00 0.00 H new ATOM 1187 N ALA A 74 0.216 0.082 -6.391 1.00 0.00 N ATOM 1188 CA ALA A 74 0.365 0.416 -4.974 1.00 0.00 C ATOM 1189 C ALA A 74 -0.968 0.834 -4.371 1.00 0.00 C ATOM 1190 O ALA A 74 -1.359 0.350 -3.311 1.00 0.00 O ATOM 1191 CB ALA A 74 1.391 1.526 -4.790 1.00 0.00 C ATOM 0 H ALA A 74 0.883 0.552 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 74 0.715 -0.476 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.488 1.760 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.355 1.198 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.066 2.415 -5.330 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.661 1.712 -5.078 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.962 2.212 -4.656 1.00 0.00 C ATOM 1199 C ARG A 75 -3.946 1.067 -4.404 1.00 0.00 C ATOM 1200 O ARG A 75 -4.564 0.984 -3.339 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.499 3.148 -5.740 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.872 3.725 -5.458 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.287 4.664 -6.575 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.645 5.179 -6.410 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.285 5.870 -7.353 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -6.664 6.178 -8.486 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.536 6.273 -7.156 1.00 0.00 N ATOM 0 H ARG A 75 -1.337 2.100 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.849 2.752 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.795 3.970 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.536 2.605 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.600 2.919 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.861 4.260 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.589 5.500 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.216 4.140 -7.528 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.127 5.001 -5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.698 5.886 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.153 6.707 -9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.010 6.054 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.022 6.802 -7.881 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.068 0.177 -5.378 1.00 0.00 N ATOM 1222 CA ARG A 76 -5.021 -0.924 -5.291 1.00 0.00 C ATOM 1223 C ARG A 76 -4.564 -1.970 -4.273 1.00 0.00 C ATOM 1224 O ARG A 76 -5.371 -2.511 -3.518 1.00 0.00 O ATOM 1225 CB ARG A 76 -5.200 -1.576 -6.662 1.00 0.00 C ATOM 1226 CG ARG A 76 -6.294 -2.628 -6.687 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.241 -3.465 -7.952 1.00 0.00 C ATOM 1228 NE ARG A 76 -7.244 -4.529 -7.933 1.00 0.00 N ATOM 1229 CZ ARG A 76 -7.171 -5.609 -7.158 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -6.129 -5.781 -6.350 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -8.141 -6.512 -7.196 1.00 0.00 N ATOM 0 H ARG A 76 -3.520 0.194 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.976 -0.517 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.430 -0.804 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.258 -2.034 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.194 -3.277 -5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.267 -2.143 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.404 -2.826 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.248 -3.901 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.050 -4.438 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.384 -5.085 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.075 -6.609 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.939 -6.378 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.089 -7.341 -6.604 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.264 -2.245 -4.256 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.696 -3.236 -3.345 1.00 0.00 C ATOM 1247 C ARG A 77 -2.899 -2.810 -1.893 1.00 0.00 C ATOM 1248 O ARG A 77 -3.217 -3.635 -1.039 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.204 -3.425 -3.622 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.874 -3.946 -5.018 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.680 -5.455 -5.055 1.00 0.00 C ATOM 1252 NE ARG A 77 -1.940 -6.200 -5.093 1.00 0.00 N ATOM 1253 CZ ARG A 77 -2.152 -7.240 -5.908 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -1.226 -7.591 -6.795 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -3.288 -7.921 -5.846 1.00 0.00 N ATOM 0 H ARG A 77 -2.581 -1.794 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.211 -4.182 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.698 -2.471 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.797 -4.117 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.676 -3.671 -5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.033 -3.459 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.085 -5.717 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.110 -5.763 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.693 -5.912 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.353 -7.067 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.389 -8.384 -7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.007 -7.653 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.443 -8.713 -6.470 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.716 -1.518 -1.619 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.929 -0.985 -0.279 1.00 0.00 C ATOM 1271 C CYS A 78 -4.393 -1.116 0.121 1.00 0.00 C ATOM 1272 O CYS A 78 -4.700 -1.386 1.282 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.486 0.479 -0.198 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.719 0.731 -0.488 1.00 0.00 S ATOM 0 H CYS A 78 -2.421 -0.825 -2.307 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.323 -1.566 0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.050 1.059 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.742 0.871 0.786 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.464 0.600 -1.756 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.291 -0.927 -0.846 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.706 -1.141 -0.605 1.00 0.00 C ATOM 1282 C GLY A 79 -6.984 -2.537 -0.079 1.00 0.00 C ATOM 1283 O GLY A 79 -7.817 -2.720 0.810 1.00 0.00 O ATOM 0 H GLY A 79 -5.060 -0.629 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.068 -0.404 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.260 -0.984 -1.531 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.272 -3.519 -0.623 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.370 -4.890 -0.138 1.00 0.00 C ATOM 1289 C GLU A 80 -5.856 -4.999 1.291 1.00 0.00 C ATOM 1290 O GLU A 80 -6.456 -5.678 2.118 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.585 -5.848 -1.027 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.256 -6.167 -2.348 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.542 -7.280 -3.081 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.340 -8.353 -2.475 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.177 -7.087 -4.258 1.00 0.00 O ATOM 0 H GLU A 80 -5.622 -3.391 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.424 -5.166 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.603 -5.418 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.421 -6.778 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.292 -6.454 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.275 -5.273 -2.972 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.745 -4.326 1.573 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.175 -4.322 2.917 1.00 0.00 C ATOM 1304 C VAL A 81 -5.173 -3.739 3.912 1.00 0.00 C ATOM 1305 O VAL A 81 -5.368 -4.277 5.003 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.860 -3.513 2.980 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.263 -3.556 4.380 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.862 -4.030 1.956 1.00 0.00 C ATOM 0 H VAL A 81 -4.222 -3.777 0.891 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.953 -5.357 3.178 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.090 -2.475 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.338 -2.979 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.971 -3.130 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.052 -4.590 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.943 -3.447 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.641 -5.078 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.285 -3.937 0.956 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.814 -2.645 3.514 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.841 -2.016 4.335 1.00 0.00 C ATOM 1320 C PHE A 82 -7.987 -2.987 4.601 1.00 0.00 C ATOM 1321 O PHE A 82 -8.419 -3.156 5.739 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.381 -0.754 3.655 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.379 0.363 3.537 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.614 0.746 4.625 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -6.212 1.034 2.337 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.697 1.773 4.519 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -5.296 2.063 2.225 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.537 2.432 3.317 1.00 0.00 C ATOM 0 H PHE A 82 -5.639 -2.175 2.626 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.386 -1.737 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.735 -1.016 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.244 -0.395 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.736 0.235 5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.804 0.750 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.106 2.060 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.174 2.578 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.819 3.235 3.231 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.465 -3.635 3.544 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.554 -4.600 3.663 1.00 0.00 C ATOM 1340 C ARG A 83 -9.126 -5.801 4.501 1.00 0.00 C ATOM 1341 O ARG A 83 -9.894 -6.298 5.323 1.00 0.00 O ATOM 1342 CB ARG A 83 -10.011 -5.054 2.275 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.077 -6.140 2.301 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.660 -6.371 0.918 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.408 -5.208 0.450 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.118 -4.521 -0.652 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -11.092 -4.881 -1.417 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -12.862 -3.476 -0.988 1.00 0.00 N ATOM 0 H ARG A 83 -8.116 -3.510 2.594 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.390 -4.115 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.397 -4.192 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.147 -5.420 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.645 -7.068 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.872 -5.856 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.856 -6.594 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.315 -7.242 0.939 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.207 -4.901 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.523 -5.687 -1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.874 -4.351 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.652 -3.203 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.645 -2.945 -1.832 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.894 -6.250 4.292 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.332 -7.358 5.053 1.00 0.00 C ATOM 1364 C TYR A 84 -7.373 -7.032 6.543 1.00 0.00 C ATOM 1365 O TYR A 84 -7.678 -7.885 7.376 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.888 -7.613 4.604 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.342 -8.973 4.982 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -4.832 -9.218 6.248 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.331 -10.011 4.058 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.328 -10.459 6.586 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.830 -11.256 4.389 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.329 -11.474 5.653 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.828 -12.713 5.987 1.00 0.00 O ATOM 0 H TYR A 84 -7.260 -5.859 3.595 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.921 -8.257 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.833 -7.502 3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.246 -6.845 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.829 -8.426 6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.720 -9.842 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.935 -10.633 7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.831 -12.053 3.660 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.904 -13.315 5.217 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.077 -5.779 6.862 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.116 -5.296 8.234 1.00 0.00 C ATOM 1385 C ALA A 85 -8.546 -5.225 8.757 1.00 0.00 C ATOM 1386 O ALA A 85 -8.806 -5.534 9.916 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.459 -3.932 8.324 1.00 0.00 C ATOM 0 H ALA A 85 -6.804 -5.072 6.179 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.566 -6.002 8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.493 -3.579 9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.421 -4.006 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.990 -3.229 7.682 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.469 -4.805 7.906 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.875 -4.726 8.286 1.00 0.00 C ATOM 1395 C ILE A 86 -11.413 -6.114 8.624 1.00 0.00 C ATOM 1396 O ILE A 86 -12.063 -6.305 9.653 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.733 -4.087 7.168 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.266 -2.653 6.901 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.210 -4.104 7.546 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.964 -1.988 5.734 1.00 0.00 C ATOM 0 H ILE A 86 -9.273 -4.513 6.948 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.941 -4.089 9.168 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.608 -4.673 6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.429 -2.055 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.192 -2.660 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.795 -3.650 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.536 -5.134 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.356 -3.540 8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.579 -0.976 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.780 -2.561 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.036 -1.947 5.927 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.110 -7.084 7.768 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.560 -8.457 7.970 1.00 0.00 C ATOM 1414 C VAL A 87 -10.970 -9.048 9.249 1.00 0.00 C ATOM 1415 O VAL A 87 -11.655 -9.746 9.996 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.177 -9.358 6.777 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.674 -10.782 6.988 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.730 -8.786 5.486 1.00 0.00 C ATOM 0 H VAL A 87 -10.553 -6.944 6.925 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.646 -8.423 8.055 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.090 -9.388 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.391 -11.396 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.228 -11.193 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.759 -10.777 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.452 -9.432 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.816 -8.725 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.320 -7.789 5.325 1.00 0.00 H new ATOM 1428 N THR A 88 -9.706 -8.744 9.508 1.00 0.00 N ATOM 1429 CA THR A 88 -9.010 -9.286 10.668 1.00 0.00 C ATOM 1430 C THR A 88 -9.344 -8.510 11.942 1.00 0.00 C ATOM 1431 O THR A 88 -8.858 -8.838 13.024 1.00 0.00 O ATOM 1432 CB THR A 88 -7.484 -9.282 10.448 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.058 -7.991 9.996 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.080 -10.335 9.428 1.00 0.00 C ATOM 0 H THR A 88 -9.140 -8.123 8.929 1.00 0.00 H new ATOM 0 HA THR A 88 -9.352 -10.314 10.791 1.00 0.00 H new ATOM 0 HB THR A 88 -7.003 -9.514 11.398 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.171 -7.931 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.999 -10.312 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.380 -11.321 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.571 -10.128 8.477 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.182 -7.486 11.809 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.566 -6.684 12.958 1.00 0.00 C ATOM 1444 C GLY A 89 -9.430 -5.813 13.455 1.00 0.00 C ATOM 1445 O GLY A 89 -9.280 -5.587 14.655 1.00 0.00 O ATOM 0 H GLY A 89 -10.602 -7.197 10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.415 -6.054 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.897 -7.341 13.763 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.615 -5.339 12.531 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.482 -4.494 12.867 1.00 0.00 C ATOM 1451 C ARG A 90 -7.707 -3.065 12.374 1.00 0.00 C ATOM 1452 O ARG A 90 -6.990 -2.147 12.759 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.200 -5.062 12.252 1.00 0.00 C ATOM 1454 CG ARG A 90 -5.892 -6.503 12.652 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.355 -6.619 14.076 1.00 0.00 C ATOM 1456 NE ARG A 90 -6.386 -6.419 15.102 1.00 0.00 N ATOM 1457 CZ ARG A 90 -6.267 -6.856 16.360 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -5.215 -7.587 16.713 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -7.212 -6.591 17.257 1.00 0.00 N ATOM 0 H ARG A 90 -8.717 -5.526 11.534 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.380 -4.474 13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.278 -5.008 11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.361 -4.430 12.543 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.798 -7.102 12.560 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.162 -6.920 11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.906 -7.603 14.209 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.562 -5.885 14.219 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.237 -5.921 14.842 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.498 -7.815 16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.124 -7.920 17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.034 -6.051 16.987 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.115 -6.928 18.215 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.704 -2.882 11.514 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.048 -1.557 11.007 1.00 0.00 C ATOM 1475 C ALA A 91 -10.550 -1.444 10.787 1.00 0.00 C ATOM 1476 O ALA A 91 -11.227 -2.452 10.589 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.300 -1.263 9.714 1.00 0.00 C ATOM 0 H ALA A 91 -9.289 -3.635 11.153 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.749 -0.819 11.752 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.572 -0.271 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.226 -1.301 9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.566 -2.007 8.963 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.068 -0.222 10.831 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.497 0.002 10.647 1.00 0.00 C ATOM 1485 C LYS A 92 -12.823 0.408 9.212 1.00 0.00 C ATOM 1486 O LYS A 92 -13.864 0.024 8.675 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.004 1.081 11.608 1.00 0.00 C ATOM 1488 CG LYS A 92 -12.927 0.688 13.072 1.00 0.00 C ATOM 1489 CD LYS A 92 -13.473 1.789 13.968 1.00 0.00 C ATOM 1490 CE LYS A 92 -13.431 1.397 15.436 1.00 0.00 C ATOM 1491 NZ LYS A 92 -12.049 1.092 15.893 1.00 0.00 N ATOM 0 H LYS A 92 -10.523 0.625 10.992 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.000 -0.941 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.424 1.991 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.039 1.317 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.492 -0.230 13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.892 0.477 13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -12.893 2.700 13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.500 2.014 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.842 2.207 16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.066 0.526 15.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.033 1.029 16.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.741 0.186 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.406 1.848 15.582 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.946 1.189 8.595 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.216 1.732 7.269 1.00 0.00 C ATOM 1507 C TYR A 93 -10.928 1.867 6.465 1.00 0.00 C ATOM 1508 O TYR A 93 -9.835 1.658 6.991 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.905 3.100 7.386 1.00 0.00 C ATOM 1510 CG TYR A 93 -11.985 4.212 7.856 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -11.524 4.258 9.167 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.571 5.208 6.980 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -10.677 5.265 9.590 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -10.724 6.217 7.396 1.00 0.00 C ATOM 1515 CZ TYR A 93 -10.280 6.241 8.702 1.00 0.00 C ATOM 1516 OH TYR A 93 -9.429 7.240 9.121 1.00 0.00 O ATOM 0 H TYR A 93 -11.045 1.460 8.989 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.878 1.041 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.321 3.371 6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.742 3.017 8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.833 3.495 9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.917 5.193 5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.328 5.287 10.612 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.411 6.983 6.702 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.245 7.848 8.374 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.064 2.217 5.193 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.914 2.462 4.340 1.00 0.00 C ATOM 1528 C ASN A 94 -9.949 3.893 3.817 1.00 0.00 C ATOM 1529 O ASN A 94 -10.977 4.354 3.329 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.868 1.466 3.171 1.00 0.00 C ATOM 1531 CG ASN A 94 -11.138 1.445 2.336 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.296 2.228 1.404 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -12.041 0.529 2.654 1.00 0.00 N ATOM 0 H ASN A 94 -11.965 2.337 4.730 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.011 2.322 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.024 1.714 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.686 0.466 3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.905 0.456 2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.872 -0.104 3.436 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.830 4.623 3.928 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.725 6.011 3.456 1.00 0.00 C ATOM 1542 C PRO A 95 -8.595 6.108 1.935 1.00 0.00 C ATOM 1543 O PRO A 95 -8.055 7.081 1.410 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.444 6.534 4.132 1.00 0.00 C ATOM 1545 CG PRO A 95 -7.005 5.458 5.075 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.579 4.177 4.544 1.00 0.00 C ATOM 0 HA PRO A 95 -9.619 6.583 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.671 6.744 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.637 7.465 4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.917 5.405 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.363 5.656 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.916 3.704 3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.754 3.451 5.338 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.116 5.107 1.235 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.030 5.047 -0.221 1.00 0.00 C ATOM 1556 C ALA A 96 -9.806 6.185 -0.903 1.00 0.00 C ATOM 1557 O ALA A 96 -9.285 6.811 -1.826 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.505 3.691 -0.723 1.00 0.00 C ATOM 0 H ALA A 96 -9.607 4.318 1.656 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.982 5.178 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.435 3.661 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.880 2.906 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.541 3.534 -0.421 1.00 0.00 H new ATOM 1564 N PRO A 97 -11.063 6.470 -0.486 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.828 7.604 -1.027 1.00 0.00 C ATOM 1566 C PRO A 97 -11.085 8.931 -0.871 1.00 0.00 C ATOM 1567 O PRO A 97 -11.053 9.750 -1.789 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.119 7.611 -0.195 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.842 6.732 0.978 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.857 5.715 0.498 1.00 0.00 C ATOM 0 HA PRO A 97 -12.003 7.496 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.375 8.621 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.962 7.237 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.437 7.307 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.755 6.255 1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.239 5.335 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.351 4.855 0.045 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.478 9.129 0.293 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.732 10.352 0.571 1.00 0.00 C ATOM 1580 C ASP A 98 -8.443 10.383 -0.240 1.00 0.00 C ATOM 1581 O ASP A 98 -7.979 11.446 -0.652 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.411 10.462 2.064 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.649 10.445 2.934 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.367 11.468 2.986 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.913 9.405 3.571 1.00 0.00 O ATOM 0 H ASP A 98 -10.487 8.458 1.061 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.352 11.201 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.759 9.638 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.858 11.384 2.245 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.876 9.204 -0.463 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.683 9.051 -1.286 1.00 0.00 C ATOM 1592 C LEU A 99 -6.943 9.582 -2.696 1.00 0.00 C ATOM 1593 O LEU A 99 -6.139 10.337 -3.246 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.270 7.563 -1.303 1.00 0.00 C ATOM 1595 CG LEU A 99 -5.052 7.170 -2.156 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.443 6.962 -3.611 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.955 8.215 -2.049 1.00 0.00 C ATOM 0 H LEU A 99 -8.230 8.328 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.862 9.633 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.073 7.258 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.124 6.982 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.670 6.226 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.561 6.685 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.185 6.167 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.863 7.885 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.105 7.914 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.332 9.176 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.640 8.306 -1.010 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.077 9.198 -3.267 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.439 9.639 -4.609 1.00 0.00 C ATOM 1611 C ALA A 100 -8.743 11.133 -4.625 1.00 0.00 C ATOM 1612 O ALA A 100 -8.464 11.828 -5.605 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.633 8.850 -5.122 1.00 0.00 C ATOM 0 H ALA A 100 -8.761 8.584 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.590 9.456 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.891 9.191 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.382 7.790 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.483 9.003 -4.457 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.302 11.620 -3.525 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.664 13.026 -3.396 1.00 0.00 C ATOM 1621 C ASP A 101 -8.420 13.905 -3.349 1.00 0.00 C ATOM 1622 O ASP A 101 -8.331 14.911 -4.054 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.516 13.235 -2.142 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.956 14.673 -1.960 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.609 15.217 -2.878 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.663 15.258 -0.898 1.00 0.00 O ATOM 0 H ASP A 101 -9.516 11.056 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.247 13.314 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.397 12.595 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.948 12.921 -1.267 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.454 13.500 -2.537 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.194 14.229 -2.415 1.00 0.00 C ATOM 1633 C ALA A 102 -5.403 14.169 -3.718 1.00 0.00 C ATOM 1634 O ALA A 102 -4.753 15.138 -4.109 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.365 13.673 -1.268 1.00 0.00 C ATOM 0 H ALA A 102 -7.517 12.668 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.426 15.273 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.430 14.228 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.922 13.771 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.148 12.621 -1.452 1.00 0.00 H new ATOM 1641 N MET A 103 -5.476 13.024 -4.388 1.00 0.00 N ATOM 1642 CA MET A 103 -4.795 12.826 -5.664 1.00 0.00 C ATOM 1643 C MET A 103 -5.363 13.762 -6.727 1.00 0.00 C ATOM 1644 O MET A 103 -4.653 14.206 -7.629 1.00 0.00 O ATOM 1645 CB MET A 103 -4.951 11.373 -6.120 1.00 0.00 C ATOM 1646 CG MET A 103 -4.148 11.026 -7.363 1.00 0.00 C ATOM 1647 SD MET A 103 -4.504 9.366 -7.978 1.00 0.00 S ATOM 1648 CE MET A 103 -4.025 8.379 -6.565 1.00 0.00 C ATOM 0 H MET A 103 -6.004 12.213 -4.066 1.00 0.00 H new ATOM 0 HA MET A 103 -3.737 13.051 -5.529 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.647 10.713 -5.307 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.005 11.175 -6.314 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.364 11.753 -8.145 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.084 11.106 -7.138 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.495 7.489 -6.905 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.373 8.964 -5.917 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.915 8.081 -6.011 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.648 14.067 -6.598 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.342 14.901 -7.566 1.00 0.00 C ATOM 1660 C LYS A 104 -6.955 16.373 -7.403 1.00 0.00 C ATOM 1661 O LYS A 104 -7.117 17.172 -8.325 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.859 14.719 -7.412 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.677 15.382 -8.511 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.157 15.024 -8.426 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.897 15.805 -7.343 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.537 15.379 -5.962 1.00 0.00 N ATOM 0 H LYS A 104 -7.232 13.746 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.046 14.591 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.087 13.653 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.167 15.125 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.563 16.464 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.288 15.080 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.628 15.215 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.256 13.957 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.679 16.867 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.971 15.683 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.392 15.364 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.119 14.427 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.849 16.048 -5.561 1.00 0.00 H new