USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 836 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 44 ASN : amide:sc= -2 K(o=-1.9,f=-5.1!) USER MOD Set 1.2: A 55 SER OG : rot 75:sc= 0.107 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc=-0.00164 (180deg=-0.0513) USER MOD Single : A 17 THR OG1 : rot -102:sc= -3.54! USER MOD Single : A 20 CYS SG : rot 40:sc= 0.0968 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.305 F(o=-1.3!,f=-0.31) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -2.95! C(o=-3!,f=-2.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 38 GLN : amide:sc= 0.449 K(o=0.45,f=-0.95) USER MOD Single : A 43 SER OG : rot 180:sc= 0.385 USER MOD Single : A 51 SER OG : rot 149:sc= 0.536! USER MOD Single : A 52 SER OG : rot 180:sc= 0.443 USER MOD Single : A 62 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= -2.12! C(o=-2.1!,f=-7.3!) USER MOD Single : A 70 SER OG : rot 33:sc= 0.0896 USER MOD Single : A 73 LYS NZ :NH3+ 172:sc=-0.00431 (180deg=-0.0783) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.2) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 84 CYS SG : rot -112:sc= -3.51! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 85:sc= -1.3 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.902 K(o=0.9,f=-3!) USER MOD Single : A 95 TYR OH : rot -134:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.934) USER MOD Single : A 105 GLN : amide:sc= -3.37! C(o=-3.4!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -15.857 6.053 5.973 1.00 0.00 N ATOM 29 CA GLN A 3 -16.192 6.165 4.564 1.00 0.00 C ATOM 30 C GLN A 3 -15.360 5.182 3.751 1.00 0.00 C ATOM 31 O GLN A 3 -14.282 5.520 3.255 1.00 0.00 O ATOM 32 CB GLN A 3 -15.975 7.596 4.061 1.00 0.00 C ATOM 33 CG GLN A 3 -16.471 7.820 2.640 1.00 0.00 C ATOM 34 CD GLN A 3 -16.218 9.232 2.145 1.00 0.00 C ATOM 35 OE1 GLN A 3 -17.044 10.123 2.327 1.00 0.00 O ATOM 36 NE2 GLN A 3 -15.077 9.445 1.513 1.00 0.00 N ATOM 0 HA GLN A 3 -17.247 5.922 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.486 8.289 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.912 7.832 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -15.979 7.112 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.540 7.610 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.416 8.679 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.857 10.375 1.157 1.00 0.00 H new ATOM 45 N TRP A 4 -15.839 3.947 3.672 1.00 0.00 N ATOM 46 CA TRP A 4 -15.183 2.924 2.875 1.00 0.00 C ATOM 47 C TRP A 4 -15.328 3.232 1.390 1.00 0.00 C ATOM 48 O TRP A 4 -16.389 3.018 0.797 1.00 0.00 O ATOM 49 CB TRP A 4 -15.764 1.541 3.187 1.00 0.00 C ATOM 50 CG TRP A 4 -15.435 1.046 4.562 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.229 1.108 5.671 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.221 0.408 4.973 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.581 0.551 6.746 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.348 0.114 6.343 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.038 0.060 4.317 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.338 -0.512 7.066 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.038 -0.565 5.036 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.193 -0.845 6.398 1.00 0.00 C ATOM 0 H TRP A 4 -16.682 3.631 4.152 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.123 2.920 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.847 1.578 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.391 0.826 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -17.222 1.533 5.699 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.957 0.475 7.691 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.908 0.276 3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.454 -0.727 8.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.121 -0.842 4.538 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.392 -1.334 6.932 1.00 0.00 H new ATOM 69 N LYS A 5 -14.269 3.755 0.802 1.00 0.00 N ATOM 70 CA LYS A 5 -14.273 4.091 -0.607 1.00 0.00 C ATOM 71 C LYS A 5 -13.962 2.852 -1.430 1.00 0.00 C ATOM 72 O LYS A 5 -12.846 2.333 -1.381 1.00 0.00 O ATOM 73 CB LYS A 5 -13.247 5.191 -0.897 1.00 0.00 C ATOM 74 CG LYS A 5 -13.247 5.665 -2.343 1.00 0.00 C ATOM 75 CD LYS A 5 -14.595 6.244 -2.737 1.00 0.00 C ATOM 76 CE LYS A 5 -14.630 6.636 -4.204 1.00 0.00 C ATOM 77 NZ LYS A 5 -15.972 7.129 -4.608 1.00 0.00 N ATOM 0 H LYS A 5 -13.392 3.957 1.282 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.261 4.462 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.446 6.042 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.252 4.823 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.472 6.419 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.001 4.831 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.378 5.513 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.810 7.118 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.886 7.410 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.358 5.777 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.958 7.387 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.678 6.381 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.221 7.964 -4.040 1.00 0.00 H new ATOM 91 N ASP A 6 -14.954 2.358 -2.152 1.00 0.00 N ATOM 92 CA ASP A 6 -14.759 1.197 -3.004 1.00 0.00 C ATOM 93 C ASP A 6 -14.000 1.594 -4.260 1.00 0.00 C ATOM 94 O ASP A 6 -14.399 2.508 -4.986 1.00 0.00 O ATOM 95 CB ASP A 6 -16.100 0.536 -3.352 1.00 0.00 C ATOM 96 CG ASP A 6 -17.100 1.499 -3.954 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.559 2.412 -3.232 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.441 1.340 -5.141 1.00 0.00 O ATOM 0 H ASP A 6 -15.899 2.741 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.166 0.462 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.924 -0.281 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.526 0.096 -2.450 1.00 0.00 H new ATOM 103 N ILE A 7 -12.885 0.923 -4.487 1.00 0.00 N ATOM 104 CA ILE A 7 -11.997 1.251 -5.589 1.00 0.00 C ATOM 105 C ILE A 7 -12.332 0.404 -6.809 1.00 0.00 C ATOM 106 O ILE A 7 -12.997 0.859 -7.741 1.00 0.00 O ATOM 107 CB ILE A 7 -10.520 1.008 -5.201 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.211 1.602 -3.819 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.589 1.594 -6.252 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.417 3.098 -3.732 1.00 0.00 C ATOM 0 H ILE A 7 -12.570 0.139 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.136 2.306 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.355 -0.068 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.843 1.115 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.178 1.372 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.554 1.414 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.784 1.122 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.761 2.667 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.178 3.440 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.766 3.597 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.456 3.336 -3.959 1.00 0.00 H new ATOM 122 N CYS A 8 -11.883 -0.836 -6.768 1.00 0.00 N ATOM 123 CA CYS A 8 -12.125 -1.796 -7.828 1.00 0.00 C ATOM 124 C CYS A 8 -12.354 -3.149 -7.180 1.00 0.00 C ATOM 125 O CYS A 8 -12.505 -3.226 -5.963 1.00 0.00 O ATOM 126 CB CYS A 8 -10.930 -1.861 -8.788 1.00 0.00 C ATOM 127 SG CYS A 8 -10.526 -0.295 -9.599 1.00 0.00 S ATOM 0 H CYS A 8 -11.336 -1.208 -5.992 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.996 -1.498 -8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.056 -2.204 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.137 -2.608 -9.554 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.503 -0.464 -10.383 1.00 0.00 H new ATOM 133 N LYS A 9 -12.363 -4.211 -7.960 1.00 0.00 N ATOM 134 CA LYS A 9 -12.568 -5.530 -7.396 1.00 0.00 C ATOM 135 C LYS A 9 -11.240 -6.148 -6.986 1.00 0.00 C ATOM 136 O LYS A 9 -10.181 -5.757 -7.478 1.00 0.00 O ATOM 137 CB LYS A 9 -13.306 -6.430 -8.384 1.00 0.00 C ATOM 138 CG LYS A 9 -14.743 -5.998 -8.620 1.00 0.00 C ATOM 139 CD LYS A 9 -15.460 -6.945 -9.562 1.00 0.00 C ATOM 140 CE LYS A 9 -16.938 -6.608 -9.678 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.169 -5.250 -10.237 1.00 0.00 N ATOM 0 H LYS A 9 -12.233 -4.189 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.186 -5.430 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.772 -6.432 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.297 -7.454 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.273 -5.959 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.758 -4.990 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.997 -6.898 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.347 -7.969 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.427 -7.347 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.401 -6.676 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.187 -5.107 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.816 -4.535 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.666 -5.157 -11.142 1.00 0.00 H new ATOM 155 N ILE A 10 -11.299 -7.108 -6.073 1.00 0.00 N ATOM 156 CA ILE A 10 -10.107 -7.796 -5.601 1.00 0.00 C ATOM 157 C ILE A 10 -9.554 -8.692 -6.708 1.00 0.00 C ATOM 158 O ILE A 10 -8.437 -9.192 -6.632 1.00 0.00 O ATOM 159 CB ILE A 10 -10.407 -8.626 -4.325 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.113 -9.140 -3.688 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.337 -9.787 -4.643 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.174 -8.035 -3.249 1.00 0.00 C ATOM 0 H ILE A 10 -12.166 -7.429 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.357 -7.049 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.903 -7.970 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.363 -9.758 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.597 -9.782 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.534 -10.355 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.276 -9.402 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.869 -10.436 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.279 -8.472 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.894 -7.431 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.672 -7.406 -2.512 1.00 0.00 H new ATOM 174 N ASP A 11 -10.352 -8.869 -7.750 1.00 0.00 N ATOM 175 CA ASP A 11 -9.932 -9.619 -8.922 1.00 0.00 C ATOM 176 C ASP A 11 -8.962 -8.783 -9.754 1.00 0.00 C ATOM 177 O ASP A 11 -8.088 -9.318 -10.442 1.00 0.00 O ATOM 178 CB ASP A 11 -11.151 -10.011 -9.754 1.00 0.00 C ATOM 179 CG ASP A 11 -10.805 -10.976 -10.865 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.424 -12.127 -10.561 1.00 0.00 O ATOM 181 OD2 ASP A 11 -10.936 -10.600 -12.046 1.00 0.00 O ATOM 0 H ASP A 11 -11.301 -8.500 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.423 -10.528 -8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.901 -10.463 -9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.599 -9.114 -10.182 1.00 0.00 H new ATOM 186 N ASP A 12 -9.118 -7.463 -9.670 1.00 0.00 N ATOM 187 CA ASP A 12 -8.210 -6.529 -10.333 1.00 0.00 C ATOM 188 C ASP A 12 -6.826 -6.612 -9.712 1.00 0.00 C ATOM 189 O ASP A 12 -5.809 -6.459 -10.392 1.00 0.00 O ATOM 190 CB ASP A 12 -8.713 -5.086 -10.214 1.00 0.00 C ATOM 191 CG ASP A 12 -9.902 -4.784 -11.100 1.00 0.00 C ATOM 192 OD1 ASP A 12 -9.684 -4.373 -12.263 1.00 0.00 O ATOM 193 OD2 ASP A 12 -11.053 -4.916 -10.632 1.00 0.00 O ATOM 0 H ASP A 12 -9.869 -7.014 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.167 -6.807 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.984 -4.889 -9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.900 -4.405 -10.466 1.00 0.00 H new ATOM 198 N ILE A 13 -6.803 -6.846 -8.410 1.00 0.00 N ATOM 199 CA ILE A 13 -5.562 -6.922 -7.663 1.00 0.00 C ATOM 200 C ILE A 13 -5.228 -8.372 -7.349 1.00 0.00 C ATOM 201 O ILE A 13 -5.691 -8.931 -6.356 1.00 0.00 O ATOM 202 CB ILE A 13 -5.645 -6.119 -6.348 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.249 -4.735 -6.605 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.263 -5.986 -5.725 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.516 -3.944 -5.344 1.00 0.00 C ATOM 0 H ILE A 13 -7.640 -6.988 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.777 -6.489 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.291 -6.655 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.573 -4.166 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.183 -4.852 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.335 -5.417 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.863 -6.977 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.600 -5.468 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.943 -2.976 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.216 -4.491 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.581 -3.794 -4.804 1.00 0.00 H new ATOM 217 N LEU A 14 -4.447 -8.985 -8.220 1.00 0.00 N ATOM 218 CA LEU A 14 -4.025 -10.364 -8.036 1.00 0.00 C ATOM 219 C LEU A 14 -3.016 -10.464 -6.885 1.00 0.00 C ATOM 220 O LEU A 14 -2.532 -9.444 -6.396 1.00 0.00 O ATOM 221 CB LEU A 14 -3.437 -10.931 -9.343 1.00 0.00 C ATOM 222 CG LEU A 14 -2.398 -10.061 -10.059 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.494 -10.925 -10.920 1.00 0.00 C ATOM 224 CD2 LEU A 14 -3.073 -9.002 -10.922 1.00 0.00 C ATOM 0 H LEU A 14 -4.089 -8.546 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.897 -10.964 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.980 -11.895 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.259 -11.119 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.799 -9.558 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.760 -10.295 -11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.979 -11.651 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.093 -11.450 -11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.313 -8.399 -11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.698 -9.488 -11.672 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.692 -8.361 -10.294 1.00 0.00 H new ATOM 236 N PRO A 15 -2.721 -11.686 -6.404 1.00 0.00 N ATOM 237 CA PRO A 15 -1.741 -11.898 -5.328 1.00 0.00 C ATOM 238 C PRO A 15 -0.392 -11.232 -5.612 1.00 0.00 C ATOM 239 O PRO A 15 0.078 -11.224 -6.753 1.00 0.00 O ATOM 240 CB PRO A 15 -1.590 -13.418 -5.286 1.00 0.00 C ATOM 241 CG PRO A 15 -2.889 -13.937 -5.794 1.00 0.00 C ATOM 242 CD PRO A 15 -3.335 -12.957 -6.842 1.00 0.00 C ATOM 0 HA PRO A 15 -2.073 -11.459 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.759 -13.751 -5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.391 -13.769 -4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.774 -14.936 -6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.622 -14.012 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.993 -13.247 -7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.422 -12.884 -6.888 1.00 0.00 H new ATOM 250 N GLU A 16 0.207 -10.678 -4.557 1.00 0.00 N ATOM 251 CA GLU A 16 1.485 -9.968 -4.636 1.00 0.00 C ATOM 252 C GLU A 16 1.443 -8.852 -5.678 1.00 0.00 C ATOM 253 O GLU A 16 2.367 -8.691 -6.477 1.00 0.00 O ATOM 254 CB GLU A 16 2.639 -10.932 -4.925 1.00 0.00 C ATOM 255 CG GLU A 16 3.001 -11.824 -3.746 1.00 0.00 C ATOM 256 CD GLU A 16 2.151 -13.075 -3.654 1.00 0.00 C ATOM 257 OE1 GLU A 16 1.016 -13.008 -3.133 1.00 0.00 O ATOM 258 OE2 GLU A 16 2.636 -14.144 -4.081 1.00 0.00 O ATOM 0 H GLU A 16 -0.184 -10.710 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 16 1.660 -9.510 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.372 -11.559 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.517 -10.356 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.049 -12.111 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.896 -11.254 -2.823 1.00 0.00 H new ATOM 265 N THR A 17 0.381 -8.064 -5.638 1.00 0.00 N ATOM 266 CA THR A 17 0.205 -6.986 -6.597 1.00 0.00 C ATOM 267 C THR A 17 -0.175 -5.686 -5.896 1.00 0.00 C ATOM 268 O THR A 17 -0.993 -5.679 -4.972 1.00 0.00 O ATOM 269 CB THR A 17 -0.869 -7.352 -7.640 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.548 -8.611 -8.237 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.980 -6.297 -8.730 1.00 0.00 C ATOM 0 H THR A 17 -0.370 -8.150 -4.954 1.00 0.00 H new ATOM 0 HA THR A 17 1.157 -6.840 -7.108 1.00 0.00 H new ATOM 0 HB THR A 17 -1.827 -7.409 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.157 -8.463 -9.123 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.748 -6.592 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.249 -5.340 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.023 -6.202 -9.243 1.00 0.00 H new ATOM 279 N GLY A 18 0.445 -4.597 -6.326 1.00 0.00 N ATOM 280 CA GLY A 18 0.132 -3.297 -5.785 1.00 0.00 C ATOM 281 C GLY A 18 -0.334 -2.341 -6.861 1.00 0.00 C ATOM 282 O GLY A 18 0.344 -2.161 -7.872 1.00 0.00 O ATOM 0 H GLY A 18 1.166 -4.595 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.643 -3.396 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.012 -2.887 -5.290 1.00 0.00 H new ATOM 286 N VAL A 19 -1.487 -1.733 -6.654 1.00 0.00 N ATOM 287 CA VAL A 19 -2.061 -0.825 -7.637 1.00 0.00 C ATOM 288 C VAL A 19 -2.167 0.587 -7.077 1.00 0.00 C ATOM 289 O VAL A 19 -2.288 0.782 -5.864 1.00 0.00 O ATOM 290 CB VAL A 19 -3.456 -1.292 -8.112 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.368 -2.642 -8.809 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.437 -1.352 -6.950 1.00 0.00 C ATOM 0 H VAL A 19 -2.049 -1.850 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.388 -0.827 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.826 -0.560 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.362 -2.949 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.712 -2.562 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.967 -3.383 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.410 -1.683 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.071 -2.054 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.534 -0.362 -6.504 1.00 0.00 H new ATOM 302 N CYS A 20 -2.112 1.565 -7.965 1.00 0.00 N ATOM 303 CA CYS A 20 -2.199 2.959 -7.571 1.00 0.00 C ATOM 304 C CYS A 20 -3.633 3.464 -7.677 1.00 0.00 C ATOM 305 O CYS A 20 -4.236 3.440 -8.753 1.00 0.00 O ATOM 306 CB CYS A 20 -1.264 3.809 -8.435 1.00 0.00 C ATOM 307 SG CYS A 20 -1.436 3.539 -10.217 1.00 0.00 S ATOM 0 H CYS A 20 -2.007 1.417 -8.969 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.888 3.044 -6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.448 4.862 -8.220 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.234 3.601 -8.147 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.694 3.401 -10.516 1.00 0.00 H new ATOM 313 N ALA A 21 -4.182 3.914 -6.561 1.00 0.00 N ATOM 314 CA ALA A 21 -5.545 4.414 -6.532 1.00 0.00 C ATOM 315 C ALA A 21 -5.610 5.776 -5.857 1.00 0.00 C ATOM 316 O ALA A 21 -4.646 6.219 -5.231 1.00 0.00 O ATOM 317 CB ALA A 21 -6.454 3.429 -5.815 1.00 0.00 C ATOM 0 H ALA A 21 -3.703 3.943 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.887 4.526 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.472 3.817 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.438 2.472 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.105 3.290 -4.792 1.00 0.00 H new ATOM 323 N LEU A 22 -6.744 6.440 -5.992 1.00 0.00 N ATOM 324 CA LEU A 22 -6.948 7.731 -5.362 1.00 0.00 C ATOM 325 C LEU A 22 -8.095 7.655 -4.368 1.00 0.00 C ATOM 326 O LEU A 22 -9.120 7.025 -4.636 1.00 0.00 O ATOM 327 CB LEU A 22 -7.233 8.807 -6.412 1.00 0.00 C ATOM 328 CG LEU A 22 -6.082 9.100 -7.378 1.00 0.00 C ATOM 329 CD1 LEU A 22 -6.503 10.132 -8.411 1.00 0.00 C ATOM 330 CD2 LEU A 22 -4.856 9.582 -6.618 1.00 0.00 C ATOM 0 H LEU A 22 -7.540 6.105 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.035 8.001 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.104 8.503 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.499 9.731 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.826 8.176 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.672 10.328 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.353 9.753 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.786 11.056 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.048 9.785 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.101 10.494 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.539 8.813 -5.914 1.00 0.00 H new ATOM 342 N LEU A 23 -7.911 8.282 -3.221 1.00 0.00 N ATOM 343 CA LEU A 23 -8.950 8.336 -2.209 1.00 0.00 C ATOM 344 C LEU A 23 -9.211 9.790 -1.847 1.00 0.00 C ATOM 345 O LEU A 23 -8.489 10.383 -1.041 1.00 0.00 O ATOM 346 CB LEU A 23 -8.539 7.511 -0.976 1.00 0.00 C ATOM 347 CG LEU A 23 -9.640 7.244 0.063 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.314 5.991 0.859 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.793 8.423 1.012 1.00 0.00 C ATOM 0 H LEU A 23 -7.048 8.763 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.871 7.901 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.153 6.551 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.717 8.026 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.580 7.103 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.100 5.811 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.246 5.138 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.362 6.124 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.578 8.207 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.852 8.593 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.058 9.315 0.444 1.00 0.00 H new ATOM 361 N GLY A 24 -10.209 10.376 -2.492 1.00 0.00 N ATOM 362 CA GLY A 24 -10.541 11.763 -2.248 1.00 0.00 C ATOM 363 C GLY A 24 -9.520 12.697 -2.861 1.00 0.00 C ATOM 364 O GLY A 24 -9.663 13.118 -4.010 1.00 0.00 O ATOM 0 H GLY A 24 -10.797 9.912 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.527 11.980 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.599 11.940 -1.174 1.00 0.00 H new ATOM 368 N ASP A 25 -8.491 13.012 -2.098 1.00 0.00 N ATOM 369 CA ASP A 25 -7.393 13.839 -2.585 1.00 0.00 C ATOM 370 C ASP A 25 -6.058 13.155 -2.328 1.00 0.00 C ATOM 371 O ASP A 25 -5.017 13.598 -2.815 1.00 0.00 O ATOM 372 CB ASP A 25 -7.405 15.212 -1.906 1.00 0.00 C ATOM 373 CG ASP A 25 -7.180 15.122 -0.410 1.00 0.00 C ATOM 374 OD1 ASP A 25 -6.014 15.138 0.026 1.00 0.00 O ATOM 375 OD2 ASP A 25 -8.178 15.034 0.340 1.00 0.00 O ATOM 0 H ASP A 25 -8.388 12.707 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.525 13.975 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.632 15.840 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.361 15.700 -2.098 1.00 0.00 H new ATOM 380 N GLU A 26 -6.095 12.065 -1.572 1.00 0.00 N ATOM 381 CA GLU A 26 -4.881 11.367 -1.192 1.00 0.00 C ATOM 382 C GLU A 26 -4.554 10.290 -2.216 1.00 0.00 C ATOM 383 O GLU A 26 -5.449 9.721 -2.851 1.00 0.00 O ATOM 384 CB GLU A 26 -5.037 10.743 0.199 1.00 0.00 C ATOM 385 CG GLU A 26 -3.851 10.986 1.126 1.00 0.00 C ATOM 386 CD GLU A 26 -2.552 10.403 0.600 1.00 0.00 C ATOM 387 OE1 GLU A 26 -1.907 11.054 -0.257 1.00 0.00 O ATOM 388 OE2 GLU A 26 -2.177 9.296 1.036 1.00 0.00 O ATOM 0 H GLU A 26 -6.953 11.648 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.061 12.085 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.937 11.142 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.185 9.669 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.727 12.059 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.067 10.553 2.103 1.00 0.00 H new ATOM 395 N GLN A 27 -3.272 10.019 -2.370 1.00 0.00 N ATOM 396 CA GLN A 27 -2.803 9.011 -3.299 1.00 0.00 C ATOM 397 C GLN A 27 -2.505 7.734 -2.533 1.00 0.00 C ATOM 398 O GLN A 27 -1.514 7.656 -1.809 1.00 0.00 O ATOM 399 CB GLN A 27 -1.549 9.500 -4.027 1.00 0.00 C ATOM 400 CG GLN A 27 -1.755 10.805 -4.782 1.00 0.00 C ATOM 401 CD GLN A 27 -0.804 11.902 -4.340 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.413 11.884 -3.075 1.00 0.00 O flip ATOM 403 NE2 GLN A 27 -0.430 12.766 -5.132 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.528 10.491 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.574 8.817 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.746 9.632 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.223 8.732 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.623 10.626 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.782 11.143 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.754 12.746 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.204 13.503 -4.822 1.00 0.00 H new ATOM 412 N VAL A 28 -3.357 6.738 -2.694 1.00 0.00 N ATOM 413 CA VAL A 28 -3.265 5.528 -1.895 1.00 0.00 C ATOM 414 C VAL A 28 -2.781 4.352 -2.734 1.00 0.00 C ATOM 415 O VAL A 28 -3.316 4.075 -3.808 1.00 0.00 O ATOM 416 CB VAL A 28 -4.625 5.175 -1.259 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.496 3.987 -0.321 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.202 6.374 -0.521 1.00 0.00 C ATOM 0 H VAL A 28 -4.121 6.742 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.542 5.721 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.309 4.902 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.469 3.759 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.136 3.122 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.790 4.226 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.161 6.103 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.515 6.682 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.344 7.198 -1.220 1.00 0.00 H new ATOM 428 N ALA A 29 -1.761 3.673 -2.243 1.00 0.00 N ATOM 429 CA ALA A 29 -1.252 2.484 -2.895 1.00 0.00 C ATOM 430 C ALA A 29 -1.861 1.251 -2.254 1.00 0.00 C ATOM 431 O ALA A 29 -1.722 1.038 -1.047 1.00 0.00 O ATOM 432 CB ALA A 29 0.264 2.433 -2.813 1.00 0.00 C ATOM 0 H ALA A 29 -1.266 3.928 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.531 2.513 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.625 1.532 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.685 3.311 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.572 2.420 -1.767 1.00 0.00 H new ATOM 438 N ILE A 30 -2.546 0.455 -3.054 1.00 0.00 N ATOM 439 CA ILE A 30 -3.222 -0.727 -2.550 1.00 0.00 C ATOM 440 C ILE A 30 -2.392 -1.963 -2.852 1.00 0.00 C ATOM 441 O ILE A 30 -2.121 -2.264 -4.013 1.00 0.00 O ATOM 442 CB ILE A 30 -4.622 -0.887 -3.173 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.391 0.433 -3.101 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.391 -1.987 -2.459 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.740 0.386 -3.785 1.00 0.00 C ATOM 0 H ILE A 30 -2.649 0.606 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.339 -0.610 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.508 -1.164 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.533 0.705 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.789 1.220 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.379 -2.091 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.850 -2.928 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.497 -1.732 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.228 1.356 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.605 0.145 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.360 -0.378 -3.315 1.00 0.00 H new ATOM 457 N PHE A 31 -1.998 -2.677 -1.812 1.00 0.00 N ATOM 458 CA PHE A 31 -1.107 -3.814 -1.964 1.00 0.00 C ATOM 459 C PHE A 31 -1.754 -5.081 -1.436 1.00 0.00 C ATOM 460 O PHE A 31 -2.119 -5.157 -0.263 1.00 0.00 O ATOM 461 CB PHE A 31 0.213 -3.581 -1.219 1.00 0.00 C ATOM 462 CG PHE A 31 1.106 -2.546 -1.842 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.921 -2.873 -2.913 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.140 -1.252 -1.352 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.751 -1.928 -3.485 1.00 0.00 C ATOM 466 CE2 PHE A 31 1.970 -0.304 -1.918 1.00 0.00 C ATOM 467 CZ PHE A 31 2.775 -0.642 -2.986 1.00 0.00 C ATOM 0 H PHE A 31 -2.282 -2.489 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.904 -3.927 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.010 -3.281 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.756 -4.525 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.908 -3.879 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.510 -0.980 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.380 -2.196 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.989 0.702 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.423 0.099 -3.431 1.00 0.00 H new ATOM 477 N ARG A 32 -1.903 -6.066 -2.303 1.00 0.00 N ATOM 478 CA ARG A 32 -2.342 -7.384 -1.887 1.00 0.00 C ATOM 479 C ARG A 32 -1.111 -8.260 -1.729 1.00 0.00 C ATOM 480 O ARG A 32 -0.556 -8.742 -2.713 1.00 0.00 O ATOM 481 CB ARG A 32 -3.302 -7.980 -2.919 1.00 0.00 C ATOM 482 CG ARG A 32 -3.960 -9.279 -2.485 1.00 0.00 C ATOM 483 CD ARG A 32 -4.891 -9.799 -3.568 1.00 0.00 C ATOM 484 NE ARG A 32 -5.631 -10.992 -3.155 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.466 -11.662 -3.951 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.692 -11.245 -5.192 1.00 0.00 N ATOM 487 NH2 ARG A 32 -7.095 -12.736 -3.496 1.00 0.00 N ATOM 0 H ARG A 32 -1.725 -5.977 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.878 -7.321 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.080 -7.249 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.757 -8.155 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.195 -10.025 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.520 -9.118 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.598 -9.015 -3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.310 -10.029 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.501 -11.331 -2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.226 -10.408 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.332 -11.762 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.941 -13.050 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.734 -13.249 -4.104 1.00 0.00 H new ATOM 501 N PRO A 33 -0.649 -8.443 -0.486 1.00 0.00 N ATOM 502 CA PRO A 33 0.604 -9.134 -0.192 1.00 0.00 C ATOM 503 C PRO A 33 0.434 -10.634 0.028 1.00 0.00 C ATOM 504 O PRO A 33 1.396 -11.341 0.328 1.00 0.00 O ATOM 505 CB PRO A 33 1.039 -8.448 1.096 1.00 0.00 C ATOM 506 CG PRO A 33 -0.237 -8.137 1.806 1.00 0.00 C ATOM 507 CD PRO A 33 -1.295 -7.954 0.745 1.00 0.00 C ATOM 0 HA PRO A 33 1.317 -9.072 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.678 -9.097 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.609 -7.542 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.508 -8.945 2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.134 -7.234 2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.196 -8.522 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.592 -6.909 0.653 1.00 0.00 H new ATOM 515 N TYR A 34 -0.790 -11.111 -0.112 1.00 0.00 N ATOM 516 CA TYR A 34 -1.081 -12.524 0.064 1.00 0.00 C ATOM 517 C TYR A 34 -1.956 -13.019 -1.075 1.00 0.00 C ATOM 518 O TYR A 34 -2.370 -12.241 -1.936 1.00 0.00 O ATOM 519 CB TYR A 34 -1.795 -12.774 1.397 1.00 0.00 C ATOM 520 CG TYR A 34 -0.999 -12.381 2.624 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.031 -13.184 3.096 1.00 0.00 C ATOM 522 CD2 TYR A 34 -1.289 -11.213 3.315 1.00 0.00 C ATOM 523 CE1 TYR A 34 0.748 -12.833 4.223 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.578 -10.855 4.444 1.00 0.00 C ATOM 525 CZ TYR A 34 0.441 -11.669 4.894 1.00 0.00 C ATOM 526 OH TYR A 34 1.147 -11.323 6.025 1.00 0.00 O ATOM 0 H TYR A 34 -1.601 -10.539 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.136 -13.067 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.736 -12.223 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.045 -13.833 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.275 -14.097 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.085 -10.573 2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.546 -13.468 4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.818 -9.944 4.971 1.00 0.00 H new ATOM 0 HH TYR A 34 0.806 -10.474 6.376 1.00 0.00 H new ATOM 536 N HIS A 35 -2.251 -14.310 -1.074 1.00 0.00 N ATOM 537 CA HIS A 35 -3.137 -14.885 -2.077 1.00 0.00 C ATOM 538 C HIS A 35 -4.574 -14.818 -1.570 1.00 0.00 C ATOM 539 O HIS A 35 -5.524 -15.109 -2.296 1.00 0.00 O ATOM 540 CB HIS A 35 -2.777 -16.347 -2.375 1.00 0.00 C ATOM 541 CG HIS A 35 -1.331 -16.611 -2.694 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.419 -15.631 -3.035 1.00 0.00 N ATOM 543 CD2 HIS A 35 -0.643 -17.777 -2.708 1.00 0.00 C ATOM 544 CE1 HIS A 35 0.759 -16.188 -3.244 1.00 0.00 C ATOM 545 NE2 HIS A 35 0.649 -17.485 -3.052 1.00 0.00 N ATOM 0 H HIS A 35 -1.892 -14.978 -0.392 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.026 -14.313 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.056 -16.954 -1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.383 -16.687 -3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.040 -18.757 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.662 -15.667 -3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.405 -18.164 -3.145 1.00 0.00 H new ATOM 554 N SER A 36 -4.713 -14.430 -0.309 1.00 0.00 N ATOM 555 CA SER A 36 -6.003 -14.391 0.360 1.00 0.00 C ATOM 556 C SER A 36 -6.696 -13.044 0.155 1.00 0.00 C ATOM 557 O SER A 36 -6.363 -12.296 -0.766 1.00 0.00 O ATOM 558 CB SER A 36 -5.794 -14.657 1.849 1.00 0.00 C ATOM 559 OG SER A 36 -4.787 -13.804 2.366 1.00 0.00 O ATOM 0 H SER A 36 -3.933 -14.134 0.278 1.00 0.00 H new ATOM 0 HA SER A 36 -6.647 -15.158 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.728 -14.497 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.512 -15.699 2.003 1.00 0.00 H new ATOM 0 HG SER A 36 -4.665 -13.984 3.322 1.00 0.00 H new ATOM 565 N ASP A 37 -7.646 -12.738 1.033 1.00 0.00 N ATOM 566 CA ASP A 37 -8.457 -11.529 0.924 1.00 0.00 C ATOM 567 C ASP A 37 -7.820 -10.369 1.683 1.00 0.00 C ATOM 568 O ASP A 37 -8.429 -9.312 1.844 1.00 0.00 O ATOM 569 CB ASP A 37 -9.862 -11.788 1.483 1.00 0.00 C ATOM 570 CG ASP A 37 -9.875 -11.939 2.998 1.00 0.00 C ATOM 571 OD1 ASP A 37 -8.949 -12.570 3.553 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.811 -11.421 3.647 1.00 0.00 O ATOM 0 H ASP A 37 -7.876 -13.320 1.839 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.521 -11.262 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.519 -10.966 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.268 -12.692 1.029 1.00 0.00 H new ATOM 577 N GLN A 38 -6.599 -10.566 2.158 1.00 0.00 N ATOM 578 CA GLN A 38 -5.929 -9.539 2.938 1.00 0.00 C ATOM 579 C GLN A 38 -5.247 -8.524 2.031 1.00 0.00 C ATOM 580 O GLN A 38 -4.359 -8.872 1.249 1.00 0.00 O ATOM 581 CB GLN A 38 -4.908 -10.158 3.893 1.00 0.00 C ATOM 582 CG GLN A 38 -4.418 -9.178 4.944 1.00 0.00 C ATOM 583 CD GLN A 38 -5.557 -8.626 5.782 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.555 -9.307 6.017 1.00 0.00 O ATOM 585 NE2 GLN A 38 -5.429 -7.387 6.224 1.00 0.00 N ATOM 0 H GLN A 38 -6.057 -11.419 2.018 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.688 -9.023 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.355 -11.020 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.057 -10.525 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.697 -9.674 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.895 -8.355 4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.587 -6.853 6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.172 -6.965 6.780 1.00 0.00 H new ATOM 594 N VAL A 39 -5.669 -7.271 2.134 1.00 0.00 N ATOM 595 CA VAL A 39 -5.075 -6.195 1.355 1.00 0.00 C ATOM 596 C VAL A 39 -4.668 -5.064 2.287 1.00 0.00 C ATOM 597 O VAL A 39 -5.334 -4.815 3.292 1.00 0.00 O ATOM 598 CB VAL A 39 -6.045 -5.630 0.291 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.290 -5.229 -0.962 1.00 0.00 C ATOM 600 CG2 VAL A 39 -7.148 -6.623 -0.042 1.00 0.00 C ATOM 0 H VAL A 39 -6.424 -6.975 2.753 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.211 -6.611 0.837 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.516 -4.742 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.990 -4.834 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.554 -4.464 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.782 -6.100 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.811 -6.192 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.706 -7.540 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.719 -6.849 0.859 1.00 0.00 H new ATOM 610 N PHE A 40 -3.577 -4.394 1.967 1.00 0.00 N ATOM 611 CA PHE A 40 -3.125 -3.260 2.756 1.00 0.00 C ATOM 612 C PHE A 40 -3.057 -2.017 1.888 1.00 0.00 C ATOM 613 O PHE A 40 -2.889 -2.110 0.673 1.00 0.00 O ATOM 614 CB PHE A 40 -1.751 -3.535 3.376 1.00 0.00 C ATOM 615 CG PHE A 40 -1.742 -4.665 4.369 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.626 -4.678 5.435 1.00 0.00 C ATOM 617 CD2 PHE A 40 -0.837 -5.704 4.242 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.608 -5.708 6.354 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.816 -6.739 5.158 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.702 -6.740 6.215 1.00 0.00 C ATOM 0 H PHE A 40 -2.986 -4.614 1.166 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.841 -3.100 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.043 -3.760 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.399 -2.629 3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.337 -3.873 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.139 -5.706 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.302 -5.706 7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.107 -7.546 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.687 -7.547 6.933 1.00 0.00 H new ATOM 630 N ALA A 41 -3.204 -0.858 2.504 1.00 0.00 N ATOM 631 CA ALA A 41 -3.119 0.398 1.782 1.00 0.00 C ATOM 632 C ALA A 41 -2.189 1.363 2.496 1.00 0.00 C ATOM 633 O ALA A 41 -2.242 1.494 3.720 1.00 0.00 O ATOM 634 CB ALA A 41 -4.501 1.007 1.620 1.00 0.00 C ATOM 0 H ALA A 41 -3.383 -0.761 3.503 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.709 0.201 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.422 1.949 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.139 0.320 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.935 1.190 2.603 1.00 0.00 H new ATOM 640 N ILE A 42 -1.332 2.023 1.736 1.00 0.00 N ATOM 641 CA ILE A 42 -0.406 3.003 2.290 1.00 0.00 C ATOM 642 C ILE A 42 -0.291 4.201 1.357 1.00 0.00 C ATOM 643 O ILE A 42 -0.917 4.226 0.296 1.00 0.00 O ATOM 644 CB ILE A 42 1.006 2.409 2.523 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.555 1.804 1.225 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.983 1.369 3.638 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.973 1.283 1.346 1.00 0.00 C ATOM 0 H ILE A 42 -1.256 1.899 0.726 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.809 3.311 3.255 1.00 0.00 H new ATOM 0 HB ILE A 42 1.669 3.217 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.904 0.988 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.521 2.559 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.986 0.967 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.643 1.835 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.304 0.560 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.292 0.871 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.638 2.099 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.011 0.504 2.107 1.00 0.00 H new ATOM 659 N SER A 43 0.493 5.194 1.757 1.00 0.00 N ATOM 660 CA SER A 43 0.757 6.349 0.910 1.00 0.00 C ATOM 661 C SER A 43 1.419 5.898 -0.393 1.00 0.00 C ATOM 662 O SER A 43 2.402 5.162 -0.376 1.00 0.00 O ATOM 663 CB SER A 43 1.652 7.340 1.656 1.00 0.00 C ATOM 664 OG SER A 43 1.123 7.627 2.943 1.00 0.00 O ATOM 0 H SER A 43 0.958 5.222 2.665 1.00 0.00 H new ATOM 0 HA SER A 43 -0.183 6.843 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.656 6.928 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.741 8.261 1.080 1.00 0.00 H new ATOM 0 HG SER A 43 1.711 8.261 3.404 1.00 0.00 H new ATOM 670 N ASN A 44 0.856 6.323 -1.516 1.00 0.00 N ATOM 671 CA ASN A 44 1.301 5.854 -2.828 1.00 0.00 C ATOM 672 C ASN A 44 2.515 6.627 -3.330 1.00 0.00 C ATOM 673 O ASN A 44 3.346 6.086 -4.051 1.00 0.00 O ATOM 674 CB ASN A 44 0.151 5.969 -3.831 1.00 0.00 C ATOM 675 CG ASN A 44 0.483 5.401 -5.195 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.281 4.474 -5.326 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.146 5.948 -6.222 1.00 0.00 N ATOM 0 H ASN A 44 0.088 6.993 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 44 1.601 4.811 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.722 5.451 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.123 7.018 -3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.023 5.602 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.800 6.715 -6.069 1.00 0.00 H new ATOM 684 N ILE A 45 2.609 7.884 -2.954 1.00 0.00 N ATOM 685 CA ILE A 45 3.716 8.730 -3.375 1.00 0.00 C ATOM 686 C ILE A 45 4.821 8.697 -2.323 1.00 0.00 C ATOM 687 O ILE A 45 4.521 8.693 -1.129 1.00 0.00 O ATOM 688 CB ILE A 45 3.228 10.188 -3.571 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.230 10.264 -4.734 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.392 11.143 -3.794 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.798 9.812 -6.062 1.00 0.00 C ATOM 0 H ILE A 45 1.929 8.350 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 45 4.106 8.355 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 45 2.723 10.498 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.361 9.651 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.878 11.291 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.011 12.156 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.056 11.116 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.944 10.842 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.032 9.895 -6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.649 10.440 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.123 8.775 -5.984 1.00 0.00 H new ATOM 703 N ASP A 46 6.086 8.643 -2.760 1.00 0.00 N ATOM 704 CA ASP A 46 7.218 8.772 -1.834 1.00 0.00 C ATOM 705 C ASP A 46 7.097 10.095 -1.085 1.00 0.00 C ATOM 706 O ASP A 46 7.357 11.161 -1.651 1.00 0.00 O ATOM 707 CB ASP A 46 8.566 8.727 -2.571 1.00 0.00 C ATOM 708 CG ASP A 46 8.901 7.371 -3.168 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.506 6.536 -2.462 1.00 0.00 O ATOM 710 OD2 ASP A 46 8.589 7.154 -4.355 1.00 0.00 O ATOM 0 H ASP A 46 6.349 8.512 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 46 7.188 7.932 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.557 9.471 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.357 9.012 -1.877 1.00 0.00 H new ATOM 715 N PRO A 47 6.711 10.042 0.199 1.00 0.00 N ATOM 716 CA PRO A 47 6.283 11.223 0.961 1.00 0.00 C ATOM 717 C PRO A 47 7.331 12.327 1.012 1.00 0.00 C ATOM 718 O PRO A 47 7.136 13.411 0.464 1.00 0.00 O ATOM 719 CB PRO A 47 6.021 10.671 2.369 1.00 0.00 C ATOM 720 CG PRO A 47 5.795 9.214 2.173 1.00 0.00 C ATOM 721 CD PRO A 47 6.670 8.817 1.018 1.00 0.00 C ATOM 0 HA PRO A 47 5.416 11.693 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.869 10.854 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.153 11.148 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.054 8.654 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.747 9.006 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.665 8.519 1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.252 7.975 0.465 1.00 0.00 H new ATOM 729 N PHE A 48 8.449 12.044 1.655 1.00 0.00 N ATOM 730 CA PHE A 48 9.464 13.060 1.886 1.00 0.00 C ATOM 731 C PHE A 48 10.454 13.115 0.722 1.00 0.00 C ATOM 732 O PHE A 48 11.252 14.044 0.615 1.00 0.00 O ATOM 733 CB PHE A 48 10.186 12.763 3.203 1.00 0.00 C ATOM 734 CG PHE A 48 10.929 13.936 3.776 1.00 0.00 C ATOM 735 CD1 PHE A 48 10.242 14.962 4.405 1.00 0.00 C ATOM 736 CD2 PHE A 48 12.310 14.011 3.695 1.00 0.00 C ATOM 737 CE1 PHE A 48 10.917 16.039 4.941 1.00 0.00 C ATOM 738 CE2 PHE A 48 12.989 15.088 4.229 1.00 0.00 C ATOM 739 CZ PHE A 48 12.292 16.104 4.852 1.00 0.00 C ATOM 0 H PHE A 48 8.679 11.122 2.026 1.00 0.00 H new ATOM 0 HA PHE A 48 8.984 14.036 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.456 12.417 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.889 11.945 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.165 14.918 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.861 13.219 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.369 16.831 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.066 15.136 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.822 16.948 5.269 1.00 0.00 H new ATOM 749 N PHE A 49 10.381 12.130 -0.164 1.00 0.00 N ATOM 750 CA PHE A 49 11.328 12.037 -1.266 1.00 0.00 C ATOM 751 C PHE A 49 10.774 12.709 -2.528 1.00 0.00 C ATOM 752 O PHE A 49 11.533 13.043 -3.442 1.00 0.00 O ATOM 753 CB PHE A 49 11.681 10.571 -1.537 1.00 0.00 C ATOM 754 CG PHE A 49 12.940 10.392 -2.341 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.084 11.108 -2.027 1.00 0.00 C ATOM 756 CD2 PHE A 49 12.980 9.505 -3.401 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.245 10.941 -2.757 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.137 9.335 -4.136 1.00 0.00 C ATOM 759 CZ PHE A 49 15.271 10.054 -3.814 1.00 0.00 C ATOM 0 H PHE A 49 9.680 11.389 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 49 12.238 12.567 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.791 10.051 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.853 10.098 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.068 11.805 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.097 8.939 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.131 11.504 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.155 8.640 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.176 9.923 -4.388 1.00 0.00 H new ATOM 769 N GLU A 50 9.450 12.906 -2.561 1.00 0.00 N ATOM 770 CA GLU A 50 8.778 13.629 -3.653 1.00 0.00 C ATOM 771 C GLU A 50 8.841 12.858 -4.972 1.00 0.00 C ATOM 772 O GLU A 50 8.916 13.451 -6.052 1.00 0.00 O ATOM 773 CB GLU A 50 9.387 15.023 -3.836 1.00 0.00 C ATOM 774 CG GLU A 50 9.273 15.909 -2.608 1.00 0.00 C ATOM 775 CD GLU A 50 9.949 17.249 -2.805 1.00 0.00 C ATOM 776 OE1 GLU A 50 11.155 17.364 -2.496 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.283 18.191 -3.280 1.00 0.00 O ATOM 0 H GLU A 50 8.815 12.571 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 50 7.730 13.729 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.439 14.917 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.896 15.516 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.221 16.066 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.719 15.401 -1.753 1.00 0.00 H new ATOM 784 N SER A 51 8.768 11.542 -4.885 1.00 0.00 N ATOM 785 CA SER A 51 8.829 10.697 -6.066 1.00 0.00 C ATOM 786 C SER A 51 7.439 10.200 -6.454 1.00 0.00 C ATOM 787 O SER A 51 6.434 10.736 -5.992 1.00 0.00 O ATOM 788 CB SER A 51 9.782 9.534 -5.833 1.00 0.00 C ATOM 789 OG SER A 51 11.102 10.007 -5.624 1.00 0.00 O ATOM 0 H SER A 51 8.666 11.033 -4.007 1.00 0.00 H new ATOM 0 HA SER A 51 9.210 11.291 -6.897 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.455 8.956 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.762 8.862 -6.691 1.00 0.00 H new ATOM 0 HG SER A 51 11.577 9.397 -5.022 1.00 0.00 H new ATOM 795 N SER A 52 7.385 9.201 -7.323 1.00 0.00 N ATOM 796 CA SER A 52 6.127 8.758 -7.901 1.00 0.00 C ATOM 797 C SER A 52 5.497 7.622 -7.091 1.00 0.00 C ATOM 798 O SER A 52 5.682 7.526 -5.878 1.00 0.00 O ATOM 799 CB SER A 52 6.358 8.327 -9.358 1.00 0.00 C ATOM 800 OG SER A 52 5.132 8.192 -10.064 1.00 0.00 O ATOM 0 H SER A 52 8.202 8.681 -7.644 1.00 0.00 H new ATOM 0 HA SER A 52 5.425 9.592 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.989 9.061 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.896 7.379 -9.377 1.00 0.00 H new ATOM 0 HG SER A 52 5.315 7.919 -10.987 1.00 0.00 H new ATOM 806 N VAL A 53 4.732 6.786 -7.782 1.00 0.00 N ATOM 807 CA VAL A 53 3.925 5.754 -7.151 1.00 0.00 C ATOM 808 C VAL A 53 4.760 4.557 -6.690 1.00 0.00 C ATOM 809 O VAL A 53 5.626 4.058 -7.416 1.00 0.00 O ATOM 810 CB VAL A 53 2.807 5.274 -8.107 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.943 6.447 -8.544 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.382 4.563 -9.326 1.00 0.00 C ATOM 0 H VAL A 53 4.655 6.806 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 53 3.479 6.206 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 53 2.189 4.560 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.161 6.093 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.487 6.909 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.561 7.181 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.569 4.239 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.033 5.246 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.956 3.694 -9.003 1.00 0.00 H new ATOM 822 N LEU A 54 4.482 4.101 -5.475 1.00 0.00 N ATOM 823 CA LEU A 54 5.135 2.924 -4.918 1.00 0.00 C ATOM 824 C LEU A 54 4.578 1.656 -5.555 1.00 0.00 C ATOM 825 O LEU A 54 5.114 0.564 -5.370 1.00 0.00 O ATOM 826 CB LEU A 54 4.939 2.864 -3.401 1.00 0.00 C ATOM 827 CG LEU A 54 5.393 4.105 -2.629 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.234 3.887 -1.133 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.832 4.451 -2.968 1.00 0.00 C ATOM 0 H LEU A 54 3.801 4.534 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 54 6.201 2.995 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.882 2.696 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.480 2.000 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 54 4.762 4.943 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.561 4.779 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.187 3.690 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.840 3.036 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.135 5.336 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.479 3.615 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.916 4.651 -4.036 1.00 0.00 H new ATOM 841 N SER A 55 3.493 1.814 -6.307 1.00 0.00 N ATOM 842 CA SER A 55 2.867 0.700 -7.008 1.00 0.00 C ATOM 843 C SER A 55 3.786 0.167 -8.110 1.00 0.00 C ATOM 844 O SER A 55 3.574 -0.919 -8.643 1.00 0.00 O ATOM 845 CB SER A 55 1.536 1.153 -7.600 1.00 0.00 C ATOM 846 OG SER A 55 0.794 1.890 -6.645 1.00 0.00 O ATOM 0 H SER A 55 3.027 2.710 -6.447 1.00 0.00 H new ATOM 0 HA SER A 55 2.689 -0.108 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.714 1.766 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.962 0.285 -7.925 1.00 0.00 H new ATOM 0 HG SER A 55 1.183 2.784 -6.548 1.00 0.00 H new ATOM 852 N ARG A 56 4.811 0.946 -8.445 1.00 0.00 N ATOM 853 CA ARG A 56 5.814 0.519 -9.409 1.00 0.00 C ATOM 854 C ARG A 56 7.029 -0.035 -8.663 1.00 0.00 C ATOM 855 O ARG A 56 8.175 0.202 -9.035 1.00 0.00 O ATOM 856 CB ARG A 56 6.218 1.695 -10.315 1.00 0.00 C ATOM 857 CG ARG A 56 7.141 1.297 -11.459 1.00 0.00 C ATOM 858 CD ARG A 56 7.495 2.479 -12.350 1.00 0.00 C ATOM 859 NE ARG A 56 6.366 2.913 -13.171 1.00 0.00 N ATOM 860 CZ ARG A 56 6.180 2.529 -14.436 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.051 1.717 -15.030 1.00 0.00 N ATOM 862 NH2 ARG A 56 5.132 2.969 -15.114 1.00 0.00 N ATOM 0 H ARG A 56 4.967 1.878 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 56 5.399 -0.266 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.318 2.150 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.711 2.456 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.055 0.864 -11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.661 0.523 -12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.831 3.310 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.328 2.206 -12.997 1.00 0.00 H new ATOM 0 HE ARG A 56 5.682 3.545 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.868 1.383 -14.518 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.902 1.428 -15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.466 3.602 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.990 2.676 -16.081 1.00 0.00 H new ATOM 876 N GLY A 57 6.762 -0.792 -7.609 1.00 0.00 N ATOM 877 CA GLY A 57 7.830 -1.325 -6.791 1.00 0.00 C ATOM 878 C GLY A 57 7.613 -2.786 -6.464 1.00 0.00 C ATOM 879 O GLY A 57 6.512 -3.309 -6.636 1.00 0.00 O ATOM 0 H GLY A 57 5.822 -1.047 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.780 -1.207 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.900 -0.752 -5.866 1.00 0.00 H new ATOM 883 N LEU A 58 8.662 -3.443 -5.999 1.00 0.00 N ATOM 884 CA LEU A 58 8.613 -4.874 -5.745 1.00 0.00 C ATOM 885 C LEU A 58 8.400 -5.159 -4.266 1.00 0.00 C ATOM 886 O LEU A 58 8.788 -4.365 -3.408 1.00 0.00 O ATOM 887 CB LEU A 58 9.900 -5.565 -6.221 1.00 0.00 C ATOM 888 CG LEU A 58 11.177 -5.235 -5.431 1.00 0.00 C ATOM 889 CD1 LEU A 58 12.254 -6.268 -5.716 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.691 -3.845 -5.778 1.00 0.00 C ATOM 0 H LEU A 58 9.560 -3.008 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 58 7.769 -5.274 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.744 -6.643 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.065 -5.301 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 58 10.930 -5.256 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.153 -6.022 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.898 -7.255 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.485 -6.269 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.595 -3.638 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.917 -3.796 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.929 -3.104 -5.535 1.00 0.00 H new ATOM 902 N ILE A 59 7.779 -6.292 -3.981 1.00 0.00 N ATOM 903 CA ILE A 59 7.574 -6.727 -2.610 1.00 0.00 C ATOM 904 C ILE A 59 8.550 -7.849 -2.274 1.00 0.00 C ATOM 905 O ILE A 59 8.565 -8.889 -2.930 1.00 0.00 O ATOM 906 CB ILE A 59 6.124 -7.212 -2.377 1.00 0.00 C ATOM 907 CG1 ILE A 59 5.131 -6.101 -2.735 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.935 -7.652 -0.929 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.681 -6.519 -2.620 1.00 0.00 C ATOM 0 H ILE A 59 7.407 -6.929 -4.685 1.00 0.00 H new ATOM 0 HA ILE A 59 7.752 -5.872 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 59 5.935 -8.069 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.306 -5.246 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.324 -5.768 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.909 -7.990 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.622 -8.468 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.139 -6.813 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.038 -5.681 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.489 -7.354 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.470 -6.823 -1.595 1.00 0.00 H new ATOM 921 N ALA A 60 9.368 -7.622 -1.261 1.00 0.00 N ATOM 922 CA ALA A 60 10.369 -8.590 -0.843 1.00 0.00 C ATOM 923 C ALA A 60 10.209 -8.904 0.637 1.00 0.00 C ATOM 924 O ALA A 60 9.964 -8.009 1.450 1.00 0.00 O ATOM 925 CB ALA A 60 11.766 -8.062 -1.130 1.00 0.00 C ATOM 0 H ALA A 60 9.358 -6.766 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 60 10.226 -9.510 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.505 -8.797 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.873 -7.879 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.922 -7.131 -0.585 1.00 0.00 H new ATOM 931 N GLU A 61 10.354 -10.168 0.989 1.00 0.00 N ATOM 932 CA GLU A 61 10.161 -10.596 2.362 1.00 0.00 C ATOM 933 C GLU A 61 11.452 -10.450 3.158 1.00 0.00 C ATOM 934 O GLU A 61 12.515 -10.904 2.732 1.00 0.00 O ATOM 935 CB GLU A 61 9.682 -12.046 2.411 1.00 0.00 C ATOM 936 CG GLU A 61 9.255 -12.496 3.799 1.00 0.00 C ATOM 937 CD GLU A 61 8.899 -13.964 3.856 1.00 0.00 C ATOM 938 OE1 GLU A 61 7.888 -14.359 3.239 1.00 0.00 O ATOM 939 OE2 GLU A 61 9.628 -14.725 4.521 1.00 0.00 O ATOM 0 H GLU A 61 10.605 -10.916 0.343 1.00 0.00 H new ATOM 0 HA GLU A 61 9.399 -9.958 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.844 -12.167 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.481 -12.697 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.061 -12.295 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.396 -11.906 4.119 1.00 0.00 H new ATOM 946 N HIS A 62 11.353 -9.799 4.308 1.00 0.00 N ATOM 947 CA HIS A 62 12.485 -9.678 5.215 1.00 0.00 C ATOM 948 C HIS A 62 12.663 -10.988 5.972 1.00 0.00 C ATOM 949 O HIS A 62 13.729 -11.602 5.933 1.00 0.00 O ATOM 950 CB HIS A 62 12.262 -8.513 6.192 1.00 0.00 C ATOM 951 CG HIS A 62 13.363 -8.328 7.197 1.00 0.00 C ATOM 952 ND1 HIS A 62 13.133 -8.026 8.521 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.710 -8.393 7.059 1.00 0.00 C ATOM 954 CE1 HIS A 62 14.286 -7.920 9.153 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.261 -8.138 8.289 1.00 0.00 N ATOM 0 H HIS A 62 10.500 -9.346 4.635 1.00 0.00 H new ATOM 0 HA HIS A 62 13.389 -9.470 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.149 -7.592 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.324 -8.675 6.724 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.214 -7.903 8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.250 -8.606 6.148 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.412 -7.693 10.201 1.00 0.00 H new ATOM 964 N GLN A 63 11.593 -11.391 6.643 1.00 0.00 N ATOM 965 CA GLN A 63 11.520 -12.650 7.375 1.00 0.00 C ATOM 966 C GLN A 63 10.175 -12.703 8.079 1.00 0.00 C ATOM 967 O GLN A 63 10.033 -12.244 9.214 1.00 0.00 O ATOM 968 CB GLN A 63 12.667 -12.791 8.388 1.00 0.00 C ATOM 969 CG GLN A 63 12.681 -14.117 9.143 1.00 0.00 C ATOM 970 CD GLN A 63 12.837 -15.333 8.241 1.00 0.00 C ATOM 971 OE1 GLN A 63 12.387 -15.346 7.094 1.00 0.00 O ATOM 972 NE2 GLN A 63 13.487 -16.366 8.751 1.00 0.00 N ATOM 0 H GLN A 63 10.735 -10.842 6.695 1.00 0.00 H new ATOM 0 HA GLN A 63 11.620 -13.480 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.615 -12.676 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.601 -11.977 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.497 -14.105 9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.755 -14.212 9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.847 -16.322 9.704 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.629 -17.207 8.191 1.00 0.00 H new ATOM 981 N GLY A 64 9.171 -13.193 7.367 1.00 0.00 N ATOM 982 CA GLY A 64 7.810 -13.146 7.868 1.00 0.00 C ATOM 983 C GLY A 64 7.147 -11.813 7.558 1.00 0.00 C ATOM 984 O GLY A 64 5.938 -11.738 7.352 1.00 0.00 O ATOM 0 H GLY A 64 9.274 -13.624 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.229 -13.954 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.812 -13.311 8.946 1.00 0.00 H new ATOM 988 N GLU A 65 7.953 -10.759 7.533 1.00 0.00 N ATOM 989 CA GLU A 65 7.477 -9.420 7.203 1.00 0.00 C ATOM 990 C GLU A 65 7.552 -9.187 5.702 1.00 0.00 C ATOM 991 O GLU A 65 8.534 -9.566 5.060 1.00 0.00 O ATOM 992 CB GLU A 65 8.336 -8.367 7.893 1.00 0.00 C ATOM 993 CG GLU A 65 8.546 -8.603 9.373 1.00 0.00 C ATOM 994 CD GLU A 65 9.544 -7.630 9.949 1.00 0.00 C ATOM 995 OE1 GLU A 65 10.759 -7.816 9.715 1.00 0.00 O ATOM 996 OE2 GLU A 65 9.124 -6.667 10.618 1.00 0.00 O ATOM 0 H GLU A 65 8.951 -10.807 7.740 1.00 0.00 H new ATOM 0 HA GLU A 65 6.444 -9.339 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.308 -8.330 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.872 -7.390 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.595 -8.505 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.895 -9.623 9.534 1.00 0.00 H new ATOM 1003 N LEU A 66 6.536 -8.548 5.150 1.00 0.00 N ATOM 1004 CA LEU A 66 6.514 -8.239 3.730 1.00 0.00 C ATOM 1005 C LEU A 66 6.780 -6.753 3.503 1.00 0.00 C ATOM 1006 O LEU A 66 5.994 -5.900 3.915 1.00 0.00 O ATOM 1007 CB LEU A 66 5.167 -8.645 3.131 1.00 0.00 C ATOM 1008 CG LEU A 66 4.820 -10.130 3.284 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.383 -10.389 2.875 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.761 -10.988 2.454 1.00 0.00 C ATOM 0 H LEU A 66 5.714 -8.232 5.664 1.00 0.00 H new ATOM 0 HA LEU A 66 7.302 -8.804 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.382 -8.052 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.165 -8.393 2.071 1.00 0.00 H new ATOM 0 HG LEU A 66 4.937 -10.398 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.157 -11.449 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.714 -9.804 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.244 -10.100 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.498 -12.039 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.674 -10.712 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.787 -10.829 2.787 1.00 0.00 H new ATOM 1022 N TRP A 67 7.902 -6.451 2.864 1.00 0.00 N ATOM 1023 CA TRP A 67 8.301 -5.072 2.612 1.00 0.00 C ATOM 1024 C TRP A 67 8.200 -4.752 1.123 1.00 0.00 C ATOM 1025 O TRP A 67 8.473 -5.603 0.283 1.00 0.00 O ATOM 1026 CB TRP A 67 9.742 -4.835 3.079 1.00 0.00 C ATOM 1027 CG TRP A 67 9.938 -4.892 4.568 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.851 -5.993 5.372 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.280 -3.797 5.424 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.109 -5.644 6.677 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.375 -4.302 6.734 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.506 -2.434 5.212 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.693 -3.494 7.822 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.825 -1.634 6.291 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.914 -2.164 7.583 1.00 0.00 C ATOM 0 H TRP A 67 8.557 -7.148 2.508 1.00 0.00 H new ATOM 0 HA TRP A 67 7.629 -4.420 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.387 -5.579 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.070 -3.859 2.720 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.614 -6.991 5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.103 -6.281 7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.432 -2.013 4.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.763 -3.902 8.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.009 -0.581 6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.162 -1.512 8.407 1.00 0.00 H new ATOM 1046 N VAL A 68 7.809 -3.534 0.799 1.00 0.00 N ATOM 1047 CA VAL A 68 7.784 -3.086 -0.585 1.00 0.00 C ATOM 1048 C VAL A 68 8.846 -2.006 -0.787 1.00 0.00 C ATOM 1049 O VAL A 68 9.100 -1.208 0.114 1.00 0.00 O ATOM 1050 CB VAL A 68 6.383 -2.559 -0.991 1.00 0.00 C ATOM 1051 CG1 VAL A 68 5.971 -1.367 -0.138 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.341 -2.202 -2.471 1.00 0.00 C ATOM 0 H VAL A 68 7.503 -2.834 1.475 1.00 0.00 H new ATOM 0 HA VAL A 68 8.005 -3.938 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 68 5.667 -3.361 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.985 -1.021 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.939 -1.664 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.694 -0.561 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.347 -1.835 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.079 -1.427 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.566 -3.087 -3.065 1.00 0.00 H new ATOM 1062 N ALA A 69 9.490 -2.003 -1.943 1.00 0.00 N ATOM 1063 CA ALA A 69 10.561 -1.052 -2.205 1.00 0.00 C ATOM 1064 C ALA A 69 10.366 -0.345 -3.539 1.00 0.00 C ATOM 1065 O ALA A 69 10.168 -0.989 -4.572 1.00 0.00 O ATOM 1066 CB ALA A 69 11.909 -1.760 -2.176 1.00 0.00 C ATOM 0 H ALA A 69 9.292 -2.644 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 69 10.536 -0.295 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.703 -1.039 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.063 -2.210 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.928 -2.538 -2.939 1.00 0.00 H new ATOM 1072 N SER A 70 10.425 0.982 -3.512 1.00 0.00 N ATOM 1073 CA SER A 70 10.340 1.775 -4.726 1.00 0.00 C ATOM 1074 C SER A 70 11.712 1.847 -5.394 1.00 0.00 C ATOM 1075 O SER A 70 12.669 2.343 -4.805 1.00 0.00 O ATOM 1076 CB SER A 70 9.819 3.183 -4.403 1.00 0.00 C ATOM 1077 OG SER A 70 10.550 3.777 -3.342 1.00 0.00 O ATOM 0 H SER A 70 10.532 1.530 -2.658 1.00 0.00 H new ATOM 0 HA SER A 70 9.641 1.302 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.890 3.811 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.764 3.129 -4.134 1.00 0.00 H new ATOM 0 HG SER A 70 11.480 3.471 -3.374 1.00 0.00 H new ATOM 1083 N PRO A 71 11.833 1.356 -6.640 1.00 0.00 N ATOM 1084 CA PRO A 71 13.118 1.294 -7.354 1.00 0.00 C ATOM 1085 C PRO A 71 13.671 2.674 -7.710 1.00 0.00 C ATOM 1086 O PRO A 71 14.718 2.790 -8.345 1.00 0.00 O ATOM 1087 CB PRO A 71 12.784 0.508 -8.627 1.00 0.00 C ATOM 1088 CG PRO A 71 11.324 0.711 -8.825 1.00 0.00 C ATOM 1089 CD PRO A 71 10.727 0.815 -7.449 1.00 0.00 C ATOM 0 HA PRO A 71 13.893 0.835 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.354 0.876 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.025 -0.549 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.131 1.615 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.886 -0.120 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.859 1.474 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.396 -0.156 -7.080 1.00 0.00 H new ATOM 1097 N LEU A 72 12.965 3.716 -7.297 1.00 0.00 N ATOM 1098 CA LEU A 72 13.397 5.082 -7.548 1.00 0.00 C ATOM 1099 C LEU A 72 14.514 5.468 -6.581 1.00 0.00 C ATOM 1100 O LEU A 72 15.382 6.273 -6.912 1.00 0.00 O ATOM 1101 CB LEU A 72 12.219 6.063 -7.434 1.00 0.00 C ATOM 1102 CG LEU A 72 11.155 5.945 -8.535 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.290 4.707 -8.343 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.289 7.191 -8.573 1.00 0.00 C ATOM 0 H LEU A 72 12.086 3.640 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 72 13.781 5.138 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.736 5.914 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.613 7.079 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 72 11.674 5.846 -9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.548 4.655 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.918 3.816 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.784 4.762 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.541 7.090 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.791 7.317 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.913 8.062 -8.776 1.00 0.00 H new ATOM 1116 N LYS A 73 14.488 4.884 -5.387 1.00 0.00 N ATOM 1117 CA LYS A 73 15.551 5.103 -4.406 1.00 0.00 C ATOM 1118 C LYS A 73 15.948 3.787 -3.739 1.00 0.00 C ATOM 1119 O LYS A 73 17.012 3.684 -3.124 1.00 0.00 O ATOM 1120 CB LYS A 73 15.101 6.106 -3.337 1.00 0.00 C ATOM 1121 CG LYS A 73 16.206 6.476 -2.360 1.00 0.00 C ATOM 1122 CD LYS A 73 15.696 7.329 -1.211 1.00 0.00 C ATOM 1123 CE LYS A 73 16.798 7.589 -0.196 1.00 0.00 C ATOM 1124 NZ LYS A 73 17.905 8.409 -0.765 1.00 0.00 N ATOM 0 H LYS A 73 13.746 4.257 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 73 16.415 5.509 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.739 7.011 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.261 5.685 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.656 5.566 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.991 7.015 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.320 8.277 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.859 6.828 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.378 8.100 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.197 6.638 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.565 8.675 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.411 7.856 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.512 9.268 -1.200 1.00 0.00 H new ATOM 1138 N LYS A 74 15.083 2.785 -3.888 1.00 0.00 N ATOM 1139 CA LYS A 74 15.235 1.493 -3.224 1.00 0.00 C ATOM 1140 C LYS A 74 15.047 1.654 -1.721 1.00 0.00 C ATOM 1141 O LYS A 74 15.779 1.083 -0.915 1.00 0.00 O ATOM 1142 CB LYS A 74 16.580 0.842 -3.565 1.00 0.00 C ATOM 1143 CG LYS A 74 16.676 0.406 -5.019 1.00 0.00 C ATOM 1144 CD LYS A 74 18.017 -0.232 -5.335 1.00 0.00 C ATOM 1145 CE LYS A 74 19.161 0.752 -5.156 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.468 0.155 -5.532 1.00 0.00 N ATOM 0 H LYS A 74 14.252 2.848 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 74 14.461 0.820 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.384 1.546 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.732 -0.024 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 74 15.877 -0.302 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.524 1.269 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.173 -1.094 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.012 -0.602 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.977 1.637 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.198 1.082 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.223 0.858 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.656 -0.675 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.442 -0.136 -6.530 1.00 0.00 H new ATOM 1160 N GLN A 75 14.045 2.447 -1.365 1.00 0.00 N ATOM 1161 CA GLN A 75 13.659 2.637 0.022 1.00 0.00 C ATOM 1162 C GLN A 75 12.662 1.553 0.423 1.00 0.00 C ATOM 1163 O GLN A 75 11.819 1.151 -0.376 1.00 0.00 O ATOM 1164 CB GLN A 75 13.061 4.036 0.206 1.00 0.00 C ATOM 1165 CG GLN A 75 12.467 4.286 1.582 1.00 0.00 C ATOM 1166 CD GLN A 75 12.084 5.737 1.793 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.734 6.646 1.278 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.013 5.965 2.535 1.00 0.00 N ATOM 0 H GLN A 75 13.480 2.975 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 75 14.534 2.556 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 75 13.837 4.778 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.286 4.189 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.586 3.658 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.187 3.989 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.501 5.184 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.699 6.922 2.697 1.00 0.00 H new ATOM 1177 N ARG A 76 12.772 1.080 1.653 1.00 0.00 N ATOM 1178 CA ARG A 76 11.968 -0.039 2.116 1.00 0.00 C ATOM 1179 C ARG A 76 10.770 0.427 2.935 1.00 0.00 C ATOM 1180 O ARG A 76 10.923 1.104 3.957 1.00 0.00 O ATOM 1181 CB ARG A 76 12.839 -0.991 2.933 1.00 0.00 C ATOM 1182 CG ARG A 76 13.865 -1.730 2.090 1.00 0.00 C ATOM 1183 CD ARG A 76 14.917 -2.407 2.950 1.00 0.00 C ATOM 1184 NE ARG A 76 15.788 -1.437 3.615 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.985 -1.733 4.118 1.00 0.00 C ATOM 1186 NH1 ARG A 76 17.450 -2.974 4.052 1.00 0.00 N ATOM 1187 NH2 ARG A 76 17.708 -0.784 4.692 1.00 0.00 N ATOM 0 H ARG A 76 13.413 1.455 2.352 1.00 0.00 H new ATOM 0 HA ARG A 76 11.577 -0.562 1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.354 -0.426 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.200 -1.717 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.361 -2.477 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.348 -1.030 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.427 -3.028 3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.520 -3.071 2.330 1.00 0.00 H new ATOM 0 HE ARG A 76 15.458 -0.475 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.890 -3.706 3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.367 -3.196 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.348 0.169 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.625 -1.005 5.079 1.00 0.00 H new ATOM 1201 N PHE A 77 9.584 0.057 2.471 1.00 0.00 N ATOM 1202 CA PHE A 77 8.338 0.381 3.153 1.00 0.00 C ATOM 1203 C PHE A 77 7.672 -0.904 3.632 1.00 0.00 C ATOM 1204 O PHE A 77 7.409 -1.802 2.835 1.00 0.00 O ATOM 1205 CB PHE A 77 7.368 1.102 2.204 1.00 0.00 C ATOM 1206 CG PHE A 77 7.970 2.228 1.410 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.611 1.977 0.208 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.882 3.534 1.856 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.156 3.008 -0.530 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.422 4.571 1.122 1.00 0.00 C ATOM 1211 CZ PHE A 77 9.061 4.309 -0.072 1.00 0.00 C ATOM 0 H PHE A 77 9.458 -0.476 1.611 1.00 0.00 H new ATOM 0 HA PHE A 77 8.571 1.032 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.952 0.371 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.537 1.495 2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.685 0.963 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.384 3.745 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.656 2.799 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.344 5.586 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.486 5.118 -0.648 1.00 0.00 H new ATOM 1221 N ARG A 78 7.402 -1.006 4.921 1.00 0.00 N ATOM 1222 CA ARG A 78 6.690 -2.163 5.442 1.00 0.00 C ATOM 1223 C ARG A 78 5.191 -1.910 5.355 1.00 0.00 C ATOM 1224 O ARG A 78 4.626 -1.204 6.185 1.00 0.00 O ATOM 1225 CB ARG A 78 7.107 -2.470 6.885 1.00 0.00 C ATOM 1226 CG ARG A 78 6.570 -3.798 7.397 1.00 0.00 C ATOM 1227 CD ARG A 78 7.159 -4.168 8.752 1.00 0.00 C ATOM 1228 NE ARG A 78 6.735 -3.259 9.815 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.945 -3.481 11.115 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.609 -4.560 11.523 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.500 -2.613 12.014 1.00 0.00 N ATOM 0 H ARG A 78 7.661 -0.311 5.621 1.00 0.00 H new ATOM 0 HA ARG A 78 6.946 -3.035 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.195 -2.478 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.756 -1.669 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.484 -3.743 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.798 -4.583 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.862 -5.185 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.247 -4.161 8.685 1.00 0.00 H new ATOM 0 HE ARG A 78 6.249 -2.403 9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.964 -5.229 10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.763 -4.718 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.998 -1.778 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.659 -2.781 13.007 1.00 0.00 H new ATOM 1245 N LEU A 79 4.558 -2.483 4.336 1.00 0.00 N ATOM 1246 CA LEU A 79 3.143 -2.229 4.053 1.00 0.00 C ATOM 1247 C LEU A 79 2.227 -2.765 5.154 1.00 0.00 C ATOM 1248 O LEU A 79 1.033 -2.460 5.184 1.00 0.00 O ATOM 1249 CB LEU A 79 2.765 -2.820 2.685 1.00 0.00 C ATOM 1250 CG LEU A 79 3.341 -4.209 2.365 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.652 -5.301 3.174 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.223 -4.498 0.877 1.00 0.00 C ATOM 0 H LEU A 79 5.003 -3.131 3.686 1.00 0.00 H new ATOM 0 HA LEU A 79 2.999 -1.149 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.678 -2.877 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.091 -2.127 1.910 1.00 0.00 H new ATOM 0 HG LEU A 79 4.395 -4.205 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.085 -6.269 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.790 -5.108 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.587 -5.308 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.635 -5.485 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.174 -4.472 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.776 -3.745 0.315 1.00 0.00 H new ATOM 1264 N SER A 80 2.794 -3.556 6.052 1.00 0.00 N ATOM 1265 CA SER A 80 2.051 -4.124 7.161 1.00 0.00 C ATOM 1266 C SER A 80 1.556 -3.023 8.102 1.00 0.00 C ATOM 1267 O SER A 80 0.377 -2.981 8.459 1.00 0.00 O ATOM 1268 CB SER A 80 2.951 -5.101 7.912 1.00 0.00 C ATOM 1269 OG SER A 80 3.767 -5.826 7.003 1.00 0.00 O ATOM 0 H SER A 80 3.779 -3.820 6.031 1.00 0.00 H new ATOM 0 HA SER A 80 1.178 -4.652 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.578 -4.557 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.341 -5.793 8.494 1.00 0.00 H new ATOM 0 HG SER A 80 4.339 -6.447 7.501 1.00 0.00 H new ATOM 1275 N ASP A 81 2.457 -2.120 8.478 1.00 0.00 N ATOM 1276 CA ASP A 81 2.136 -1.051 9.422 1.00 0.00 C ATOM 1277 C ASP A 81 2.312 0.327 8.783 1.00 0.00 C ATOM 1278 O ASP A 81 1.638 1.288 9.156 1.00 0.00 O ATOM 1279 CB ASP A 81 3.015 -1.163 10.674 1.00 0.00 C ATOM 1280 CG ASP A 81 4.488 -0.905 10.398 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.976 -1.265 9.303 1.00 0.00 O ATOM 1282 OD2 ASP A 81 5.172 -0.355 11.284 1.00 0.00 O ATOM 0 H ASP A 81 3.420 -2.107 8.142 1.00 0.00 H new ATOM 0 HA ASP A 81 1.090 -1.163 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.663 -0.453 11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.901 -2.159 11.102 1.00 0.00 H new ATOM 1287 N GLY A 82 3.214 0.417 7.820 1.00 0.00 N ATOM 1288 CA GLY A 82 3.449 1.669 7.136 1.00 0.00 C ATOM 1289 C GLY A 82 4.782 2.288 7.505 1.00 0.00 C ATOM 1290 O GLY A 82 5.031 3.457 7.215 1.00 0.00 O ATOM 0 H GLY A 82 3.791 -0.360 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.414 1.504 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.648 2.368 7.377 1.00 0.00 H new ATOM 1294 N LEU A 83 5.645 1.513 8.145 1.00 0.00 N ATOM 1295 CA LEU A 83 6.947 2.017 8.548 1.00 0.00 C ATOM 1296 C LEU A 83 7.950 1.931 7.407 1.00 0.00 C ATOM 1297 O LEU A 83 8.006 0.936 6.687 1.00 0.00 O ATOM 1298 CB LEU A 83 7.491 1.239 9.742 1.00 0.00 C ATOM 1299 CG LEU A 83 8.865 1.703 10.228 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.767 3.063 10.902 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.481 0.677 11.161 1.00 0.00 C ATOM 0 H LEU A 83 5.468 0.540 8.394 1.00 0.00 H new ATOM 0 HA LEU A 83 6.810 3.062 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.782 1.320 10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.551 0.184 9.475 1.00 0.00 H new ATOM 0 HG LEU A 83 9.517 1.803 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.756 3.374 11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.380 3.794 10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.095 2.997 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.458 1.028 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.832 0.535 12.025 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.596 -0.271 10.635 1.00 0.00 H new ATOM 1313 N CYS A 84 8.738 2.977 7.251 1.00 0.00 N ATOM 1314 CA CYS A 84 9.838 2.971 6.305 1.00 0.00 C ATOM 1315 C CYS A 84 11.139 2.761 7.065 1.00 0.00 C ATOM 1316 O CYS A 84 11.364 3.395 8.088 1.00 0.00 O ATOM 1317 CB CYS A 84 9.876 4.289 5.535 1.00 0.00 C ATOM 1318 SG CYS A 84 8.301 4.735 4.774 1.00 0.00 S ATOM 0 H CYS A 84 8.636 3.848 7.771 1.00 0.00 H new ATOM 0 HA CYS A 84 9.703 2.162 5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.180 5.086 6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.638 4.223 4.759 1.00 0.00 H new ATOM 0 HG CYS A 84 8.407 4.659 3.481 1.00 0.00 H new ATOM 1324 N MET A 85 11.990 1.872 6.583 1.00 0.00 N ATOM 1325 CA MET A 85 13.220 1.540 7.298 1.00 0.00 C ATOM 1326 C MET A 85 14.232 2.687 7.223 1.00 0.00 C ATOM 1327 O MET A 85 15.040 2.877 8.129 1.00 0.00 O ATOM 1328 CB MET A 85 13.823 0.251 6.740 1.00 0.00 C ATOM 1329 CG MET A 85 14.888 -0.362 7.636 1.00 0.00 C ATOM 1330 SD MET A 85 15.419 -1.988 7.068 1.00 0.00 S ATOM 1331 CE MET A 85 16.548 -2.450 8.380 1.00 0.00 C ATOM 0 H MET A 85 11.858 1.368 5.706 1.00 0.00 H new ATOM 0 HA MET A 85 12.972 1.385 8.348 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.026 -0.477 6.588 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.258 0.457 5.762 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.750 0.304 7.677 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.500 -0.445 8.651 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.962 -3.437 8.173 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.357 -1.722 8.437 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.013 -2.473 9.329 1.00 0.00 H new ATOM 1341 N GLU A 86 14.190 3.445 6.135 1.00 0.00 N ATOM 1342 CA GLU A 86 15.092 4.585 5.956 1.00 0.00 C ATOM 1343 C GLU A 86 14.444 5.874 6.465 1.00 0.00 C ATOM 1344 O GLU A 86 15.117 6.774 6.967 1.00 0.00 O ATOM 1345 CB GLU A 86 15.455 4.761 4.474 1.00 0.00 C ATOM 1346 CG GLU A 86 16.286 3.631 3.877 1.00 0.00 C ATOM 1347 CD GLU A 86 15.589 2.287 3.919 1.00 0.00 C ATOM 1348 OE1 GLU A 86 14.470 2.175 3.386 1.00 0.00 O ATOM 1349 OE2 GLU A 86 16.161 1.342 4.500 1.00 0.00 O ATOM 0 H GLU A 86 13.543 3.295 5.361 1.00 0.00 H new ATOM 0 HA GLU A 86 15.996 4.384 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.534 4.858 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.003 5.696 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.528 3.875 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.230 3.560 4.417 1.00 0.00 H new ATOM 1356 N ASP A 87 13.132 5.936 6.333 1.00 0.00 N ATOM 1357 CA ASP A 87 12.370 7.166 6.555 1.00 0.00 C ATOM 1358 C ASP A 87 11.584 7.111 7.863 1.00 0.00 C ATOM 1359 O ASP A 87 10.726 7.947 8.107 1.00 0.00 O ATOM 1360 CB ASP A 87 11.436 7.406 5.364 1.00 0.00 C ATOM 1361 CG ASP A 87 10.818 8.792 5.355 1.00 0.00 C ATOM 1362 OD1 ASP A 87 11.536 9.763 5.042 1.00 0.00 O ATOM 1363 OD2 ASP A 87 9.605 8.901 5.626 1.00 0.00 O ATOM 0 H ASP A 87 12.557 5.136 6.068 1.00 0.00 H new ATOM 0 HA ASP A 87 13.068 7.999 6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.993 7.258 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.640 6.661 5.379 1.00 0.00 H new ATOM 1368 N GLU A 88 11.874 6.092 8.676 1.00 0.00 N ATOM 1369 CA GLU A 88 11.106 5.754 9.895 1.00 0.00 C ATOM 1370 C GLU A 88 10.575 6.959 10.690 1.00 0.00 C ATOM 1371 O GLU A 88 9.504 6.862 11.291 1.00 0.00 O ATOM 1372 CB GLU A 88 11.944 4.863 10.818 1.00 0.00 C ATOM 1373 CG GLU A 88 13.321 5.419 11.143 1.00 0.00 C ATOM 1374 CD GLU A 88 14.101 4.516 12.076 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.113 3.288 11.849 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.707 5.025 13.040 1.00 0.00 O ATOM 0 H GLU A 88 12.660 5.464 8.510 1.00 0.00 H new ATOM 0 HA GLU A 88 10.223 5.227 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.398 4.709 11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.061 3.885 10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.883 5.555 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.214 6.403 11.599 1.00 0.00 H new ATOM 1383 N GLN A 89 11.298 8.075 10.698 1.00 0.00 N ATOM 1384 CA GLN A 89 10.847 9.266 11.416 1.00 0.00 C ATOM 1385 C GLN A 89 9.489 9.747 10.892 1.00 0.00 C ATOM 1386 O GLN A 89 8.654 10.225 11.658 1.00 0.00 O ATOM 1387 CB GLN A 89 11.875 10.395 11.308 1.00 0.00 C ATOM 1388 CG GLN A 89 13.219 10.061 11.937 1.00 0.00 C ATOM 1389 CD GLN A 89 14.130 11.270 12.046 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.130 11.973 13.059 1.00 0.00 O ATOM 1391 NE2 GLN A 89 14.903 11.528 11.006 1.00 0.00 N ATOM 0 H GLN A 89 12.193 8.181 10.220 1.00 0.00 H new ATOM 0 HA GLN A 89 10.738 8.991 12.465 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.026 10.637 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.472 11.288 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.057 9.642 12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.712 9.291 11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.874 10.922 10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.529 12.333 11.023 1.00 0.00 H new ATOM 1400 N PHE A 90 9.270 9.605 9.592 1.00 0.00 N ATOM 1401 CA PHE A 90 8.012 10.018 8.978 1.00 0.00 C ATOM 1402 C PHE A 90 7.220 8.803 8.502 1.00 0.00 C ATOM 1403 O PHE A 90 6.102 8.557 8.969 1.00 0.00 O ATOM 1404 CB PHE A 90 8.274 10.961 7.800 1.00 0.00 C ATOM 1405 CG PHE A 90 8.982 12.232 8.182 1.00 0.00 C ATOM 1406 CD1 PHE A 90 8.271 13.319 8.663 1.00 0.00 C ATOM 1407 CD2 PHE A 90 10.359 12.337 8.057 1.00 0.00 C ATOM 1408 CE1 PHE A 90 8.918 14.487 9.013 1.00 0.00 C ATOM 1409 CE2 PHE A 90 11.011 13.504 8.407 1.00 0.00 C ATOM 1410 CZ PHE A 90 10.290 14.580 8.885 1.00 0.00 C ATOM 0 H PHE A 90 9.946 9.207 8.941 1.00 0.00 H new ATOM 0 HA PHE A 90 7.426 10.546 9.730 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.869 10.436 7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.323 11.213 7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.198 13.252 8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.927 11.499 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.352 15.327 9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.084 13.574 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.798 15.493 9.158 1.00 0.00 H new ATOM 1420 N SER A 91 7.815 8.050 7.575 1.00 0.00 N ATOM 1421 CA SER A 91 7.193 6.861 6.997 1.00 0.00 C ATOM 1422 C SER A 91 5.917 7.207 6.226 1.00 0.00 C ATOM 1423 O SER A 91 5.641 8.377 5.944 1.00 0.00 O ATOM 1424 CB SER A 91 6.901 5.834 8.091 1.00 0.00 C ATOM 1425 OG SER A 91 8.090 5.478 8.777 1.00 0.00 O ATOM 0 H SER A 91 8.744 8.249 7.204 1.00 0.00 H new ATOM 0 HA SER A 91 7.896 6.429 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.177 6.243 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.450 4.945 7.651 1.00 0.00 H new ATOM 0 HG SER A 91 8.266 6.131 9.487 1.00 0.00 H new ATOM 1431 N VAL A 92 5.159 6.185 5.854 1.00 0.00 N ATOM 1432 CA VAL A 92 3.899 6.382 5.158 1.00 0.00 C ATOM 1433 C VAL A 92 2.741 6.092 6.102 1.00 0.00 C ATOM 1434 O VAL A 92 2.932 5.479 7.155 1.00 0.00 O ATOM 1435 CB VAL A 92 3.783 5.483 3.903 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.877 5.816 2.902 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.828 4.008 4.277 1.00 0.00 C ATOM 0 H VAL A 92 5.398 5.208 6.024 1.00 0.00 H new ATOM 0 HA VAL A 92 3.863 7.420 4.828 1.00 0.00 H new ATOM 0 HB VAL A 92 2.818 5.681 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.778 5.173 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.787 6.859 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.852 5.655 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.744 3.401 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.772 3.788 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.000 3.777 4.948 1.00 0.00 H new ATOM 1447 N LYS A 93 1.546 6.531 5.749 1.00 0.00 N ATOM 1448 CA LYS A 93 0.395 6.283 6.599 1.00 0.00 C ATOM 1449 C LYS A 93 -0.306 5.001 6.181 1.00 0.00 C ATOM 1450 O LYS A 93 -0.435 4.711 4.992 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.593 7.449 6.570 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.758 7.238 7.523 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.732 8.400 7.519 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.874 8.138 8.486 1.00 0.00 C ATOM 1455 NZ LYS A 93 -4.857 9.246 8.503 1.00 0.00 N ATOM 0 H LYS A 93 1.348 7.052 4.895 1.00 0.00 H new ATOM 0 HA LYS A 93 0.761 6.178 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.073 8.370 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.973 7.576 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.286 6.325 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.375 7.093 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.214 9.318 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.126 8.549 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.378 7.212 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.473 7.995 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.618 9.024 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.384 10.126 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.260 9.367 7.552 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.739 4.234 7.166 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.473 3.011 6.907 1.00 0.00 C ATOM 1471 C HIS A 94 -2.959 3.313 6.780 1.00 0.00 C ATOM 1472 O HIS A 94 -3.523 4.062 7.578 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.243 2.002 8.034 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.646 0.601 7.685 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.881 0.064 7.982 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -0.954 -0.383 7.067 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.926 -1.186 7.565 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.768 -1.486 7.004 1.00 0.00 N ATOM 0 H HIS A 94 -0.594 4.438 8.155 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.113 2.581 5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.187 2.009 8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.801 2.322 8.914 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.641 0.557 8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.056 -0.313 6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.769 -1.854 7.665 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.574 2.747 5.763 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.005 2.864 5.565 1.00 0.00 C ATOM 1489 C TYR A 95 -5.621 1.473 5.621 1.00 0.00 C ATOM 1490 O TYR A 95 -4.999 0.499 5.190 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.311 3.532 4.220 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.612 4.864 4.024 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.068 6.012 4.659 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.496 4.971 3.202 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -4.430 7.226 4.485 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -2.853 6.183 3.021 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.326 7.308 3.664 1.00 0.00 C ATOM 1498 OH TYR A 95 -2.689 8.516 3.496 1.00 0.00 O ATOM 0 H TYR A 95 -3.098 2.193 5.051 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.432 3.487 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.019 2.857 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.387 3.681 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.936 5.955 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.124 4.093 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.796 8.107 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.986 6.248 2.380 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.515 8.665 2.543 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.824 1.374 6.159 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.468 0.080 6.324 1.00 0.00 C ATOM 1510 C GLU A 96 -8.245 -0.301 5.072 1.00 0.00 C ATOM 1511 O GLU A 96 -8.849 0.550 4.420 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.389 0.084 7.544 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.683 -0.266 8.848 1.00 0.00 C ATOM 1514 CD GLU A 96 -6.581 0.708 9.222 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -6.901 1.820 9.685 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.389 0.348 9.079 1.00 0.00 O ATOM 0 H GLU A 96 -7.373 2.168 6.488 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.689 -0.666 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.844 1.070 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.199 -0.626 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.418 -0.297 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.259 -1.267 8.765 1.00 0.00 H new ATOM 1523 N ALA A 97 -8.224 -1.582 4.741 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.882 -2.072 3.545 1.00 0.00 C ATOM 1525 C ALA A 97 -9.748 -3.282 3.863 1.00 0.00 C ATOM 1526 O ALA A 97 -9.465 -4.026 4.804 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.849 -2.434 2.490 1.00 0.00 C ATOM 0 H ALA A 97 -7.755 -2.303 5.289 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.524 -1.280 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.354 -2.801 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.262 -1.551 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.189 -3.210 2.878 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.807 -3.467 3.090 1.00 0.00 N ATOM 1534 CA ARG A 98 -11.653 -4.642 3.222 1.00 0.00 C ATOM 1535 C ARG A 98 -12.151 -5.078 1.851 1.00 0.00 C ATOM 1536 O ARG A 98 -12.200 -4.276 0.915 1.00 0.00 O ATOM 1537 CB ARG A 98 -12.850 -4.368 4.145 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.912 -3.463 3.535 1.00 0.00 C ATOM 1539 CD ARG A 98 -15.129 -3.333 4.439 1.00 0.00 C ATOM 1540 NE ARG A 98 -16.216 -2.592 3.794 1.00 0.00 N ATOM 1541 CZ ARG A 98 -17.422 -2.408 4.327 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -17.707 -2.862 5.541 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -18.342 -1.741 3.643 1.00 0.00 N ATOM 0 H ARG A 98 -11.101 -2.816 2.362 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.056 -5.439 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.310 -5.318 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.487 -3.914 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.487 -2.476 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.218 -3.862 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.482 -4.326 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.843 -2.827 5.361 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.037 -2.190 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.997 -3.360 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.636 -2.713 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -18.123 -1.374 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.269 -1.595 4.043 1.00 0.00 H new ATOM 1557 N VAL A 99 -12.512 -6.345 1.736 1.00 0.00 N ATOM 1558 CA VAL A 99 -13.068 -6.870 0.503 1.00 0.00 C ATOM 1559 C VAL A 99 -14.568 -7.077 0.666 1.00 0.00 C ATOM 1560 O VAL A 99 -15.008 -8.037 1.298 1.00 0.00 O ATOM 1561 CB VAL A 99 -12.399 -8.203 0.099 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.971 -8.725 -1.209 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.891 -8.037 -0.009 1.00 0.00 C ATOM 0 H VAL A 99 -12.429 -7.031 2.486 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.876 -6.145 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.611 -8.934 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.483 -9.664 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.042 -8.892 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.798 -7.994 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.440 -8.987 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.661 -7.285 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.490 -7.720 0.954 1.00 0.00 H new ATOM 1573 N LYS A 100 -15.347 -6.157 0.120 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.797 -6.219 0.221 1.00 0.00 C ATOM 1575 C LYS A 100 -17.366 -6.926 -0.997 1.00 0.00 C ATOM 1576 O LYS A 100 -17.358 -6.365 -2.090 1.00 0.00 O ATOM 1577 CB LYS A 100 -17.385 -4.811 0.324 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.882 -4.794 0.584 1.00 0.00 C ATOM 1579 CD LYS A 100 -19.448 -3.389 0.476 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.465 -2.895 -0.965 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.393 -3.677 -1.824 1.00 0.00 N ATOM 0 H LYS A 100 -14.997 -5.353 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.063 -6.776 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.879 -4.273 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -17.179 -4.272 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -19.384 -5.446 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.085 -5.194 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -20.461 -3.374 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.853 -2.710 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.757 -1.845 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.458 -2.953 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.498 -3.203 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.009 -4.633 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.322 -3.743 -1.361 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.827 -8.163 -0.793 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.382 -9.023 -1.856 1.00 0.00 C ATOM 1597 C ASP A 101 -17.492 -9.065 -3.105 1.00 0.00 C ATOM 1598 O ASP A 101 -17.956 -9.372 -4.204 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.830 -8.627 -2.223 1.00 0.00 C ATOM 1600 CG ASP A 101 -19.974 -7.256 -2.856 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -19.744 -7.125 -4.074 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.358 -6.301 -2.140 1.00 0.00 O ATOM 0 H ASP A 101 -17.828 -8.606 0.126 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.406 -10.032 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -20.233 -9.372 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -20.441 -8.661 -1.321 1.00 0.00 H new ATOM 1607 N GLY A 102 -16.203 -8.807 -2.921 1.00 0.00 N ATOM 1608 CA GLY A 102 -15.269 -8.863 -4.028 1.00 0.00 C ATOM 1609 C GLY A 102 -14.708 -7.504 -4.399 1.00 0.00 C ATOM 1610 O GLY A 102 -13.784 -7.414 -5.199 1.00 0.00 O ATOM 0 H GLY A 102 -15.788 -8.560 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.447 -9.531 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.768 -9.293 -4.896 1.00 0.00 H new ATOM 1614 N VAL A 103 -15.259 -6.448 -3.818 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.818 -5.090 -4.118 1.00 0.00 C ATOM 1616 C VAL A 103 -13.899 -4.563 -3.017 1.00 0.00 C ATOM 1617 O VAL A 103 -14.203 -4.688 -1.831 1.00 0.00 O ATOM 1618 CB VAL A 103 -16.021 -4.133 -4.273 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.584 -2.804 -4.864 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -17.110 -4.770 -5.125 1.00 0.00 C ATOM 0 H VAL A 103 -16.014 -6.504 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.271 -5.128 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.431 -3.943 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.449 -2.148 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.849 -2.338 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.141 -2.971 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.948 -4.079 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.712 -4.998 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.451 -5.690 -4.651 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.778 -3.978 -3.416 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.809 -3.438 -2.471 1.00 0.00 C ATOM 1632 C VAL A 104 -12.258 -2.075 -1.972 1.00 0.00 C ATOM 1633 O VAL A 104 -12.458 -1.151 -2.763 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.409 -3.283 -3.105 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.379 -2.894 -2.054 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.994 -4.559 -3.815 1.00 0.00 C ATOM 0 H VAL A 104 -12.516 -3.865 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.748 -4.147 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.460 -2.483 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.401 -2.791 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.665 -1.946 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.333 -3.666 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.005 -4.426 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.966 -5.381 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.712 -4.787 -4.602 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.423 -1.951 -0.667 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.810 -0.684 -0.072 1.00 0.00 C ATOM 1648 C GLN A 105 -11.759 -0.211 0.916 1.00 0.00 C ATOM 1649 O GLN A 105 -11.234 -1.000 1.705 1.00 0.00 O ATOM 1650 CB GLN A 105 -14.169 -0.799 0.612 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.305 -1.052 -0.360 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.662 -0.847 0.270 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.854 -1.095 1.457 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.609 -0.370 -0.517 1.00 0.00 N ATOM 0 H GLN A 105 -12.295 -2.712 0.001 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.889 0.053 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -14.135 -1.609 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.370 0.119 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.201 -0.386 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.234 -2.072 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.408 -0.177 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.542 -0.194 -0.144 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.447 1.074 0.855 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.434 1.661 1.713 1.00 0.00 C ATOM 1665 C LEU A 106 -11.050 2.639 2.709 1.00 0.00 C ATOM 1666 O LEU A 106 -11.930 3.429 2.360 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.392 2.400 0.872 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.684 1.562 -0.192 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.738 2.433 -1.000 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.930 0.410 0.450 1.00 0.00 C ATOM 0 H LEU A 106 -11.886 1.734 0.213 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.960 0.849 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.879 3.242 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.639 2.815 1.542 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.435 1.146 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.239 1.825 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.302 3.227 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.992 2.872 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.432 -0.175 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.186 0.803 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.630 -0.226 0.992 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.587 2.577 3.946 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.952 3.557 4.954 1.00 0.00 C ATOM 1684 C ARG A 107 -9.713 4.337 5.375 1.00 0.00 C ATOM 1685 O ARG A 107 -8.845 3.816 6.074 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.606 2.896 6.176 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.881 3.875 7.306 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.528 3.206 8.511 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.665 2.198 9.133 1.00 0.00 N ATOM 1690 CZ ARG A 107 -10.535 2.469 9.797 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -10.089 3.718 9.902 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -9.854 1.488 10.368 1.00 0.00 N ATOM 0 H ARG A 107 -9.952 1.851 4.278 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.685 4.237 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.543 2.429 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.957 2.100 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.946 4.343 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.532 4.671 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.782 3.966 9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.462 2.737 8.202 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.945 1.220 9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.610 4.483 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.226 3.910 10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.191 0.527 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.993 1.693 10.874 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.629 5.579 4.926 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.487 6.402 5.247 1.00 0.00 C ATOM 1708 C GLY A 108 -8.818 7.877 5.210 1.00 0.00 C ATOM 1709 O GLY A 108 -9.979 8.254 5.054 1.00 0.00 O ATOM 0 H GLY A 108 -10.334 6.031 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.119 6.139 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.682 6.194 4.542 1.00 0.00 H new