USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 678 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 71 GLN : amide:sc= -4.93 K(o=-20,f=-21!) USER MOD Set 1.2: A 93 GLN : amide:sc= -11.4! C(o=-20!,f=-25!) USER MOD Set 1.3: A 97 THR OG1 : rot 41:sc= -3.21! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.68! C(o=-6.1!,f=-4.1!) USER MOD Set 2.2: A 25 GLN : amide:sc= -1.46 K(o=-4.1,f=-5.5!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 144:sc= -2.04 (180deg=-0.387) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 172:sc= -1.35 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -3.26! C(o=-4.6!,f=-3.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 11 ASN :FLIP amide:sc=-0.00975 F(o=-1.9!,f=-0.0098) USER MOD Single : A 13 ASN : amide:sc= -0.0569 K(o=-0.057,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.481 (180deg=0.243) USER MOD Single : A 33 MET CE :methyl 174:sc= -0.069 (180deg=-0.2) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.17! C(o=-3.9!,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0344) USER MOD Single : A 44 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 77 LYS NZ :NH3+ 147:sc= -0.17 (180deg=-1.05) USER MOD Single : A 80 ASN :FLIP amide:sc= -7.07! C(o=-7.8!,f=-7.1!) USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= 1.04 (180deg=-1.88) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -2.62 (180deg=-2.94) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.39 F(o=-1.7,f=-0.39) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00549 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.41 K(o=0.41,f=-0.092) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.06 F(o=-4.4!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= -1.13! (180deg=-1.68!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 -12.065 8.856 2.971 1.00 0.00 N ATOM 42 CA GLU A 4 -12.126 7.806 4.033 1.00 0.00 C ATOM 43 C GLU A 4 -12.643 6.488 3.451 1.00 0.00 C ATOM 44 O GLU A 4 -12.418 5.427 3.999 1.00 0.00 O ATOM 45 CB GLU A 4 -13.071 8.280 5.146 1.00 0.00 C ATOM 46 CG GLU A 4 -14.528 8.244 4.651 1.00 0.00 C ATOM 47 CD GLU A 4 -15.386 9.207 5.479 1.00 0.00 C ATOM 48 OE1 GLU A 4 -15.252 10.404 5.288 1.00 0.00 O ATOM 49 OE2 GLU A 4 -16.163 8.729 6.289 1.00 0.00 O ATOM 0 HA GLU A 4 -11.126 7.641 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.961 7.643 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.807 9.292 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.570 8.520 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.923 7.231 4.731 1.00 0.00 H new ATOM 56 N ASP A 5 -13.349 6.534 2.359 1.00 0.00 N ATOM 57 CA ASP A 5 -13.873 5.268 1.783 1.00 0.00 C ATOM 58 C ASP A 5 -12.729 4.494 1.128 1.00 0.00 C ATOM 59 O ASP A 5 -12.713 3.278 1.151 1.00 0.00 O ATOM 60 CB ASP A 5 -14.979 5.580 0.767 1.00 0.00 C ATOM 61 CG ASP A 5 -15.319 4.325 -0.042 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.356 3.257 0.545 1.00 0.00 O ATOM 63 OD2 ASP A 5 -15.539 4.455 -1.235 1.00 0.00 O ATOM 0 H ASP A 5 -13.584 7.383 1.845 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.300 4.651 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.868 5.940 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.655 6.377 0.098 1.00 0.00 H new ATOM 68 N ASN A 6 -11.751 5.169 0.573 1.00 0.00 N ATOM 69 CA ASN A 6 -10.606 4.422 -0.031 1.00 0.00 C ATOM 70 C ASN A 6 -10.114 3.450 1.028 1.00 0.00 C ATOM 71 O ASN A 6 -9.876 2.283 0.785 1.00 0.00 O ATOM 72 CB ASN A 6 -9.480 5.403 -0.421 1.00 0.00 C ATOM 73 CG ASN A 6 -8.532 5.670 0.759 1.00 0.00 C ATOM 74 OD1 ASN A 6 -7.748 4.714 1.178 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -8.506 6.757 1.299 1.00 0.00 N flip ATOM 0 H ASN A 6 -11.696 6.186 0.513 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.912 3.894 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.914 4.995 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.916 6.343 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.119 7.504 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.872 6.923 2.080 1.00 0.00 H new ATOM 82 N TRP A 7 -9.991 3.954 2.220 1.00 0.00 N ATOM 83 CA TRP A 7 -9.547 3.113 3.341 1.00 0.00 C ATOM 84 C TRP A 7 -10.492 1.911 3.428 1.00 0.00 C ATOM 85 O TRP A 7 -10.082 0.792 3.670 1.00 0.00 O ATOM 86 CB TRP A 7 -9.614 3.943 4.644 1.00 0.00 C ATOM 87 CG TRP A 7 -8.253 4.435 5.021 1.00 0.00 C ATOM 88 CD1 TRP A 7 -7.529 5.302 4.287 1.00 0.00 C ATOM 89 CD2 TRP A 7 -7.447 4.115 6.194 1.00 0.00 C ATOM 90 NE1 TRP A 7 -6.332 5.546 4.930 1.00 0.00 N ATOM 91 CE2 TRP A 7 -6.233 4.837 6.110 1.00 0.00 C ATOM 92 CE3 TRP A 7 -7.647 3.281 7.310 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -5.253 4.738 7.096 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -6.659 3.177 8.305 1.00 0.00 C ATOM 95 CH2 TRP A 7 -5.465 3.906 8.197 1.00 0.00 C ATOM 0 H TRP A 7 -10.184 4.926 2.460 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.523 2.768 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.289 4.789 4.509 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -10.023 3.334 5.450 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.836 5.736 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.609 6.173 4.576 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.564 2.718 7.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.336 5.301 7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.820 2.533 9.157 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.710 3.824 8.965 1.00 0.00 H new ATOM 106 N GLU A 8 -11.762 2.148 3.227 1.00 0.00 N ATOM 107 CA GLU A 8 -12.750 1.040 3.292 1.00 0.00 C ATOM 108 C GLU A 8 -12.403 0.008 2.216 1.00 0.00 C ATOM 109 O GLU A 8 -12.465 -1.183 2.444 1.00 0.00 O ATOM 110 CB GLU A 8 -14.155 1.604 3.059 1.00 0.00 C ATOM 111 CG GLU A 8 -15.212 0.644 3.619 1.00 0.00 C ATOM 112 CD GLU A 8 -15.077 -0.724 2.948 1.00 0.00 C ATOM 113 OE1 GLU A 8 -14.910 -0.754 1.740 1.00 0.00 O ATOM 114 OE2 GLU A 8 -15.142 -1.717 3.653 1.00 0.00 O ATOM 0 H GLU A 8 -12.155 3.066 3.020 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.722 0.561 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.248 2.578 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.321 1.757 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.090 0.544 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.210 1.047 3.447 1.00 0.00 H new ATOM 121 N THR A 9 -12.012 0.452 1.051 1.00 0.00 N ATOM 122 CA THR A 9 -11.635 -0.519 -0.011 1.00 0.00 C ATOM 123 C THR A 9 -10.513 -1.389 0.543 1.00 0.00 C ATOM 124 O THR A 9 -10.590 -2.602 0.570 1.00 0.00 O ATOM 125 CB THR A 9 -11.143 0.237 -1.262 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.919 1.416 -1.435 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.291 -0.654 -2.498 1.00 0.00 C ATOM 0 H THR A 9 -11.938 1.436 0.792 1.00 0.00 H new ATOM 0 HA THR A 9 -12.492 -1.130 -0.295 1.00 0.00 H new ATOM 0 HB THR A 9 -10.094 0.502 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.607 1.899 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.942 -0.115 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.697 -1.559 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.339 -0.923 -2.629 1.00 0.00 H new ATOM 135 N LEU A 10 -9.476 -0.755 1.005 1.00 0.00 N ATOM 136 CA LEU A 10 -8.328 -1.489 1.584 1.00 0.00 C ATOM 137 C LEU A 10 -8.782 -2.219 2.850 1.00 0.00 C ATOM 138 O LEU A 10 -8.251 -3.237 3.217 1.00 0.00 O ATOM 139 CB LEU A 10 -7.235 -0.464 1.937 1.00 0.00 C ATOM 140 CG LEU A 10 -6.253 -0.289 0.776 1.00 0.00 C ATOM 141 CD1 LEU A 10 -6.937 0.443 -0.380 1.00 0.00 C ATOM 142 CD2 LEU A 10 -5.055 0.530 1.257 1.00 0.00 C ATOM 0 H LEU A 10 -9.376 0.260 1.004 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.941 -2.220 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.694 0.495 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.697 -0.792 2.827 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.921 -1.268 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.232 0.564 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.795 -0.136 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.272 1.424 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.350 0.660 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.396 1.507 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.564 0.008 2.078 1.00 0.00 H new ATOM 154 N ASN A 11 -9.748 -1.701 3.530 1.00 0.00 N ATOM 155 CA ASN A 11 -10.204 -2.370 4.775 1.00 0.00 C ATOM 156 C ASN A 11 -10.692 -3.777 4.457 1.00 0.00 C ATOM 157 O ASN A 11 -10.138 -4.766 4.896 1.00 0.00 O ATOM 158 CB ASN A 11 -11.372 -1.593 5.360 1.00 0.00 C ATOM 159 CG ASN A 11 -11.690 -2.121 6.762 1.00 0.00 C ATOM 160 OD1 ASN A 11 -10.815 -2.871 7.380 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -12.744 -1.848 7.300 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.245 -0.845 3.284 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.373 -2.410 5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.129 -0.532 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.246 -1.692 4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.426 -1.263 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.947 -2.204 8.234 1.00 0.00 H new ATOM 168 N ASP A 12 -11.747 -3.858 3.704 1.00 0.00 N ATOM 169 CA ASP A 12 -12.323 -5.176 3.346 1.00 0.00 C ATOM 170 C ASP A 12 -11.251 -6.048 2.723 1.00 0.00 C ATOM 171 O ASP A 12 -11.365 -7.257 2.694 1.00 0.00 O ATOM 172 CB ASP A 12 -13.421 -4.973 2.319 1.00 0.00 C ATOM 173 CG ASP A 12 -14.597 -4.230 2.955 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.731 -4.299 4.165 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.345 -3.605 2.221 1.00 0.00 O ATOM 0 H ASP A 12 -12.241 -3.055 3.316 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.718 -5.651 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.037 -4.406 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.754 -5.937 1.934 1.00 0.00 H new ATOM 180 N ASN A 13 -10.213 -5.460 2.209 1.00 0.00 N ATOM 181 CA ASN A 13 -9.167 -6.306 1.586 1.00 0.00 C ATOM 182 C ASN A 13 -8.479 -7.105 2.697 1.00 0.00 C ATOM 183 O ASN A 13 -8.527 -8.318 2.716 1.00 0.00 O ATOM 184 CB ASN A 13 -8.143 -5.443 0.828 1.00 0.00 C ATOM 185 CG ASN A 13 -8.634 -5.184 -0.601 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.265 -5.887 -1.519 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.457 -4.197 -0.823 1.00 0.00 N ATOM 0 H ASN A 13 -10.045 -4.454 2.192 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.621 -6.982 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.996 -4.497 1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.177 -5.947 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.792 -4.015 -1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.766 -3.607 -0.050 1.00 0.00 H new ATOM 194 N LEU A 14 -7.860 -6.436 3.634 1.00 0.00 N ATOM 195 CA LEU A 14 -7.192 -7.155 4.752 1.00 0.00 C ATOM 196 C LEU A 14 -8.204 -8.074 5.442 1.00 0.00 C ATOM 197 O LEU A 14 -7.868 -9.125 5.946 1.00 0.00 O ATOM 198 CB LEU A 14 -6.685 -6.130 5.774 1.00 0.00 C ATOM 199 CG LEU A 14 -5.355 -5.506 5.307 1.00 0.00 C ATOM 200 CD1 LEU A 14 -4.233 -6.552 5.299 1.00 0.00 C ATOM 201 CD2 LEU A 14 -5.518 -4.924 3.895 1.00 0.00 C ATOM 0 H LEU A 14 -7.790 -5.419 3.671 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.361 -7.743 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.431 -5.347 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.546 -6.612 6.742 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.089 -4.712 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.305 -6.087 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.099 -6.950 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.497 -7.363 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.574 -4.485 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.804 -5.718 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.291 -4.156 3.905 1.00 0.00 H new ATOM 213 N LYS A 15 -9.434 -7.664 5.482 1.00 0.00 N ATOM 214 CA LYS A 15 -10.487 -8.470 6.159 1.00 0.00 C ATOM 215 C LYS A 15 -10.529 -9.893 5.599 1.00 0.00 C ATOM 216 O LYS A 15 -10.446 -10.857 6.332 1.00 0.00 O ATOM 217 CB LYS A 15 -11.833 -7.780 5.909 1.00 0.00 C ATOM 218 CG LYS A 15 -12.947 -8.452 6.722 1.00 0.00 C ATOM 219 CD LYS A 15 -14.333 -7.889 6.297 1.00 0.00 C ATOM 220 CE LYS A 15 -15.092 -8.917 5.446 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.659 -9.971 6.332 1.00 0.00 N ATOM 0 H LYS A 15 -9.763 -6.791 5.069 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.272 -8.536 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.763 -6.727 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.076 -7.820 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.921 -9.531 6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.786 -8.279 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.917 -7.638 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.200 -6.967 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.890 -8.426 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.421 -9.365 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.584 -10.273 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.014 -10.786 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.776 -9.591 7.293 1.00 0.00 H new ATOM 235 N VAL A 16 -10.686 -10.044 4.321 1.00 0.00 N ATOM 236 CA VAL A 16 -10.772 -11.416 3.757 1.00 0.00 C ATOM 237 C VAL A 16 -9.455 -12.191 3.973 1.00 0.00 C ATOM 238 O VAL A 16 -9.483 -13.303 4.441 1.00 0.00 O ATOM 239 CB VAL A 16 -11.165 -11.313 2.253 1.00 0.00 C ATOM 240 CG1 VAL A 16 -10.258 -12.177 1.371 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.616 -11.775 2.058 1.00 0.00 C ATOM 0 H VAL A 16 -10.758 -9.285 3.644 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.542 -11.985 4.278 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.052 -10.270 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.563 -12.079 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.225 -11.848 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.340 -13.220 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.883 -11.700 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.715 -12.810 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.281 -11.143 2.647 1.00 0.00 H new ATOM 251 N ILE A 17 -8.310 -11.649 3.629 1.00 0.00 N ATOM 252 CA ILE A 17 -7.049 -12.443 3.830 1.00 0.00 C ATOM 253 C ILE A 17 -7.029 -12.964 5.266 1.00 0.00 C ATOM 254 O ILE A 17 -6.903 -14.149 5.506 1.00 0.00 O ATOM 255 CB ILE A 17 -5.784 -11.580 3.546 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.199 -10.305 2.803 1.00 0.00 C ATOM 257 CG2 ILE A 17 -4.800 -12.360 2.669 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.965 -9.483 2.395 1.00 0.00 C ATOM 0 H ILE A 17 -8.191 -10.718 3.229 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.034 -13.277 3.128 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.307 -11.329 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.776 -10.567 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.848 -9.703 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.919 -11.747 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.501 -13.274 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.278 -12.615 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.285 -8.583 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.404 -9.202 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.331 -10.080 1.740 1.00 0.00 H new ATOM 270 N GLU A 18 -7.175 -12.092 6.222 1.00 0.00 N ATOM 271 CA GLU A 18 -7.184 -12.550 7.632 1.00 0.00 C ATOM 272 C GLU A 18 -8.281 -13.607 7.800 1.00 0.00 C ATOM 273 O GLU A 18 -8.293 -14.354 8.758 1.00 0.00 O ATOM 274 CB GLU A 18 -7.477 -11.362 8.566 1.00 0.00 C ATOM 275 CG GLU A 18 -6.383 -10.261 8.437 1.00 0.00 C ATOM 276 CD GLU A 18 -5.834 -9.889 9.822 1.00 0.00 C ATOM 277 OE1 GLU A 18 -6.620 -9.838 10.753 1.00 0.00 O ATOM 278 OE2 GLU A 18 -4.641 -9.660 9.924 1.00 0.00 O ATOM 0 H GLU A 18 -7.288 -11.087 6.087 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.212 -12.972 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.452 -10.939 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.526 -11.711 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.573 -10.617 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.802 -9.378 7.955 1.00 0.00 H new ATOM 285 N LYS A 19 -9.222 -13.659 6.876 1.00 0.00 N ATOM 286 CA LYS A 19 -10.345 -14.649 6.973 1.00 0.00 C ATOM 287 C LYS A 19 -10.481 -15.424 5.649 1.00 0.00 C ATOM 288 O LYS A 19 -11.555 -15.861 5.285 1.00 0.00 O ATOM 289 CB LYS A 19 -11.649 -13.880 7.252 1.00 0.00 C ATOM 290 CG LYS A 19 -11.544 -13.126 8.597 1.00 0.00 C ATOM 291 CD LYS A 19 -12.465 -11.889 8.608 1.00 0.00 C ATOM 292 CE LYS A 19 -13.856 -12.247 8.059 1.00 0.00 C ATOM 293 NZ LYS A 19 -14.871 -11.332 8.655 1.00 0.00 N ATOM 0 H LYS A 19 -9.257 -13.053 6.056 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.143 -15.358 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.844 -13.174 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.490 -14.573 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.815 -13.794 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.512 -12.818 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.556 -11.506 9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.024 -11.095 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.864 -12.160 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.098 -13.283 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.788 -11.479 8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.964 -11.532 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.570 -10.346 8.522 1.00 0.00 H new ATOM 307 N ALA A 20 -9.404 -15.582 4.920 1.00 0.00 N ATOM 308 CA ALA A 20 -9.470 -16.311 3.613 1.00 0.00 C ATOM 309 C ALA A 20 -9.850 -17.778 3.823 1.00 0.00 C ATOM 310 O ALA A 20 -10.237 -18.454 2.895 1.00 0.00 O ATOM 311 CB ALA A 20 -8.105 -16.240 2.922 1.00 0.00 C ATOM 0 H ALA A 20 -8.478 -15.237 5.174 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.232 -15.839 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.151 -16.770 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.841 -15.198 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.350 -16.702 3.559 1.00 0.00 H new ATOM 317 N ASP A 21 -9.709 -18.278 5.020 1.00 0.00 N ATOM 318 CA ASP A 21 -10.032 -19.713 5.291 1.00 0.00 C ATOM 319 C ASP A 21 -9.007 -20.609 4.590 1.00 0.00 C ATOM 320 O ASP A 21 -8.656 -21.666 5.077 1.00 0.00 O ATOM 321 CB ASP A 21 -11.440 -20.043 4.779 1.00 0.00 C ATOM 322 CG ASP A 21 -12.386 -18.885 5.095 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.841 -18.810 6.225 1.00 0.00 O ATOM 324 OD2 ASP A 21 -12.641 -18.094 4.203 1.00 0.00 O ATOM 0 H ASP A 21 -9.381 -17.752 5.830 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.996 -19.889 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.414 -20.222 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.802 -20.959 5.246 1.00 0.00 H new ATOM 329 N ASN A 22 -8.519 -20.194 3.453 1.00 0.00 N ATOM 330 CA ASN A 22 -7.510 -21.017 2.720 1.00 0.00 C ATOM 331 C ASN A 22 -6.634 -20.111 1.854 1.00 0.00 C ATOM 332 O ASN A 22 -7.069 -19.083 1.375 1.00 0.00 O ATOM 333 CB ASN A 22 -8.225 -22.039 1.832 1.00 0.00 C ATOM 334 CG ASN A 22 -9.402 -22.642 2.594 1.00 0.00 C ATOM 335 OD1 ASN A 22 -10.579 -22.097 2.478 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -9.251 -23.619 3.301 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.775 -19.318 2.997 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.883 -21.541 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.577 -21.559 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.531 -22.825 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.329 -24.045 3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.046 -24.012 3.804 1.00 0.00 H new ATOM 343 N ALA A 23 -5.402 -20.488 1.643 1.00 0.00 N ATOM 344 CA ALA A 23 -4.500 -19.652 0.801 1.00 0.00 C ATOM 345 C ALA A 23 -5.179 -19.369 -0.544 1.00 0.00 C ATOM 346 O ALA A 23 -4.714 -18.573 -1.334 1.00 0.00 O ATOM 347 CB ALA A 23 -3.177 -20.398 0.570 1.00 0.00 C ATOM 0 H ALA A 23 -4.981 -21.339 2.017 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.295 -18.709 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.517 -19.787 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.698 -20.595 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.375 -21.342 0.062 1.00 0.00 H new ATOM 353 N ALA A 24 -6.271 -20.026 -0.817 1.00 0.00 N ATOM 354 CA ALA A 24 -6.971 -19.795 -2.111 1.00 0.00 C ATOM 355 C ALA A 24 -7.575 -18.389 -2.141 1.00 0.00 C ATOM 356 O ALA A 24 -7.233 -17.578 -2.979 1.00 0.00 O ATOM 357 CB ALA A 24 -8.081 -20.833 -2.283 1.00 0.00 C ATOM 0 H ALA A 24 -6.709 -20.712 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.252 -19.889 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.594 -20.664 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.648 -21.833 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.794 -20.742 -1.463 1.00 0.00 H new ATOM 363 N GLN A 25 -8.484 -18.089 -1.247 1.00 0.00 N ATOM 364 CA GLN A 25 -9.102 -16.732 -1.263 1.00 0.00 C ATOM 365 C GLN A 25 -8.053 -15.675 -0.923 1.00 0.00 C ATOM 366 O GLN A 25 -8.278 -14.492 -1.082 1.00 0.00 O ATOM 367 CB GLN A 25 -10.234 -16.658 -0.234 1.00 0.00 C ATOM 368 CG GLN A 25 -11.425 -17.565 -0.656 1.00 0.00 C ATOM 369 CD GLN A 25 -11.688 -18.635 0.415 1.00 0.00 C ATOM 370 OE1 GLN A 25 -12.230 -18.340 1.463 1.00 0.00 O ATOM 371 NE2 GLN A 25 -11.325 -19.868 0.194 1.00 0.00 N ATOM 0 H GLN A 25 -8.820 -18.717 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.501 -16.545 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.864 -16.968 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.574 -15.627 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.319 -16.958 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.206 -18.043 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.870 -20.116 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.496 -20.584 0.900 1.00 0.00 H new ATOM 380 N VAL A 26 -6.906 -16.086 -0.464 1.00 0.00 N ATOM 381 CA VAL A 26 -5.851 -15.103 -0.128 1.00 0.00 C ATOM 382 C VAL A 26 -5.328 -14.490 -1.428 1.00 0.00 C ATOM 383 O VAL A 26 -5.357 -13.291 -1.620 1.00 0.00 O ATOM 384 CB VAL A 26 -4.713 -15.839 0.599 1.00 0.00 C ATOM 385 CG1 VAL A 26 -3.435 -14.999 0.582 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.110 -16.145 2.052 1.00 0.00 C ATOM 0 H VAL A 26 -6.657 -17.063 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.244 -14.315 0.514 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.529 -16.778 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.640 -15.535 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.135 -14.814 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.618 -14.048 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.293 -16.666 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.319 -15.212 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.000 -16.774 2.061 1.00 0.00 H new ATOM 396 N LYS A 27 -4.836 -15.306 -2.317 1.00 0.00 N ATOM 397 CA LYS A 27 -4.300 -14.768 -3.594 1.00 0.00 C ATOM 398 C LYS A 27 -5.388 -13.969 -4.319 1.00 0.00 C ATOM 399 O LYS A 27 -5.114 -12.982 -4.972 1.00 0.00 O ATOM 400 CB LYS A 27 -3.778 -15.907 -4.488 1.00 0.00 C ATOM 401 CG LYS A 27 -4.729 -17.109 -4.450 1.00 0.00 C ATOM 402 CD LYS A 27 -4.103 -18.287 -5.201 1.00 0.00 C ATOM 403 CE LYS A 27 -4.070 -18.001 -6.708 1.00 0.00 C ATOM 404 NZ LYS A 27 -3.891 -19.281 -7.450 1.00 0.00 N ATOM 0 H LYS A 27 -4.783 -16.319 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.464 -14.105 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.674 -15.552 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.786 -16.212 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.933 -17.391 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.684 -16.843 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.092 -18.464 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.675 -19.195 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.995 -17.515 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.256 -17.315 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.868 -19.090 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.997 -19.727 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.683 -19.920 -7.235 1.00 0.00 H new ATOM 418 N ASP A 28 -6.623 -14.373 -4.194 1.00 0.00 N ATOM 419 CA ASP A 28 -7.727 -13.624 -4.855 1.00 0.00 C ATOM 420 C ASP A 28 -7.782 -12.225 -4.258 1.00 0.00 C ATOM 421 O ASP A 28 -7.654 -11.240 -4.945 1.00 0.00 O ATOM 422 CB ASP A 28 -9.050 -14.375 -4.593 1.00 0.00 C ATOM 423 CG ASP A 28 -9.924 -14.392 -5.855 1.00 0.00 C ATOM 424 OD1 ASP A 28 -9.802 -13.473 -6.648 1.00 0.00 O ATOM 425 OD2 ASP A 28 -10.698 -15.323 -6.002 1.00 0.00 O ATOM 0 H ASP A 28 -6.915 -15.192 -3.661 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.565 -13.549 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.838 -15.397 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.591 -13.896 -3.777 1.00 0.00 H new ATOM 430 N ALA A 29 -7.972 -12.151 -2.977 1.00 0.00 N ATOM 431 CA ALA A 29 -8.059 -10.829 -2.298 1.00 0.00 C ATOM 432 C ALA A 29 -6.889 -9.929 -2.714 1.00 0.00 C ATOM 433 O ALA A 29 -7.065 -8.759 -2.989 1.00 0.00 O ATOM 434 CB ALA A 29 -8.023 -11.066 -0.783 1.00 0.00 C ATOM 0 H ALA A 29 -8.072 -12.958 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.985 -10.330 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.086 -10.110 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.866 -11.693 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.091 -11.564 -0.515 1.00 0.00 H new ATOM 440 N LEU A 30 -5.698 -10.453 -2.739 1.00 0.00 N ATOM 441 CA LEU A 30 -4.530 -9.609 -3.111 1.00 0.00 C ATOM 442 C LEU A 30 -4.705 -9.052 -4.530 1.00 0.00 C ATOM 443 O LEU A 30 -4.330 -7.931 -4.810 1.00 0.00 O ATOM 444 CB LEU A 30 -3.245 -10.440 -2.995 1.00 0.00 C ATOM 445 CG LEU A 30 -2.888 -10.610 -1.495 1.00 0.00 C ATOM 446 CD1 LEU A 30 -2.027 -11.857 -1.287 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.106 -9.384 -0.991 1.00 0.00 C ATOM 0 H LEU A 30 -5.482 -11.425 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.460 -8.761 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.384 -11.415 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.429 -9.947 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.819 -10.711 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.786 -11.960 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.575 -12.738 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.105 -11.763 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.862 -9.516 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.186 -9.278 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.715 -8.489 -1.113 1.00 0.00 H new ATOM 459 N THR A 31 -5.291 -9.797 -5.425 1.00 0.00 N ATOM 460 CA THR A 31 -5.501 -9.267 -6.796 1.00 0.00 C ATOM 461 C THR A 31 -6.465 -8.071 -6.701 1.00 0.00 C ATOM 462 O THR A 31 -6.397 -7.122 -7.466 1.00 0.00 O ATOM 463 CB THR A 31 -6.091 -10.383 -7.671 1.00 0.00 C ATOM 464 OG1 THR A 31 -5.052 -11.267 -8.065 1.00 0.00 O ATOM 465 CG2 THR A 31 -6.748 -9.790 -8.916 1.00 0.00 C ATOM 0 H THR A 31 -5.631 -10.745 -5.266 1.00 0.00 H new ATOM 0 HA THR A 31 -4.564 -8.937 -7.244 1.00 0.00 H new ATOM 0 HB THR A 31 -6.844 -10.923 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.425 -11.982 -8.622 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.162 -10.593 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.548 -9.112 -8.618 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.004 -9.241 -9.494 1.00 0.00 H new ATOM 473 N LYS A 32 -7.348 -8.100 -5.743 1.00 0.00 N ATOM 474 CA LYS A 32 -8.295 -6.965 -5.576 1.00 0.00 C ATOM 475 C LYS A 32 -7.501 -5.794 -4.999 1.00 0.00 C ATOM 476 O LYS A 32 -7.700 -4.652 -5.363 1.00 0.00 O ATOM 477 CB LYS A 32 -9.470 -7.350 -4.644 1.00 0.00 C ATOM 478 CG LYS A 32 -9.827 -8.845 -4.783 1.00 0.00 C ATOM 479 CD LYS A 32 -10.453 -9.148 -6.168 1.00 0.00 C ATOM 480 CE LYS A 32 -10.119 -10.592 -6.634 1.00 0.00 C ATOM 481 NZ LYS A 32 -11.327 -11.186 -7.276 1.00 0.00 N ATOM 0 H LYS A 32 -7.454 -8.859 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.735 -6.694 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.204 -7.132 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.342 -6.742 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.930 -9.449 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.525 -9.129 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.534 -9.021 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.083 -8.432 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.287 -10.578 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.807 -11.199 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.205 -12.215 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.165 -10.984 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.455 -10.774 -8.222 1.00 0.00 H new ATOM 495 N MET A 33 -6.573 -6.084 -4.121 1.00 0.00 N ATOM 496 CA MET A 33 -5.732 -5.002 -3.543 1.00 0.00 C ATOM 497 C MET A 33 -5.001 -4.321 -4.694 1.00 0.00 C ATOM 498 O MET A 33 -4.888 -3.125 -4.726 1.00 0.00 O ATOM 499 CB MET A 33 -4.714 -5.603 -2.568 1.00 0.00 C ATOM 500 CG MET A 33 -5.317 -5.737 -1.159 1.00 0.00 C ATOM 501 SD MET A 33 -3.988 -6.090 0.024 1.00 0.00 S ATOM 502 CE MET A 33 -3.943 -4.476 0.844 1.00 0.00 C ATOM 0 H MET A 33 -6.365 -7.023 -3.783 1.00 0.00 H new ATOM 0 HA MET A 33 -6.349 -4.285 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.395 -6.582 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.825 -4.973 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.833 -4.818 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.058 -6.536 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.254 -4.516 1.688 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.607 -3.718 0.137 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.941 -4.222 1.202 1.00 0.00 H new ATOM 512 N ARG A 34 -4.519 -5.073 -5.655 1.00 0.00 N ATOM 513 CA ARG A 34 -3.822 -4.439 -6.817 1.00 0.00 C ATOM 514 C ARG A 34 -4.682 -3.272 -7.296 1.00 0.00 C ATOM 515 O ARG A 34 -4.212 -2.172 -7.514 1.00 0.00 O ATOM 516 CB ARG A 34 -3.693 -5.487 -7.948 1.00 0.00 C ATOM 517 CG ARG A 34 -2.226 -5.882 -8.198 1.00 0.00 C ATOM 518 CD ARG A 34 -1.760 -6.879 -7.131 1.00 0.00 C ATOM 519 NE ARG A 34 -1.724 -6.215 -5.796 1.00 0.00 N ATOM 520 CZ ARG A 34 -0.817 -5.312 -5.532 1.00 0.00 C ATOM 521 NH1 ARG A 34 0.055 -4.975 -6.441 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.791 -4.740 -4.360 1.00 0.00 N ATOM 0 H ARG A 34 -4.578 -6.091 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.830 -4.086 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.269 -6.375 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.123 -5.086 -8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.124 -6.324 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.594 -4.994 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.433 -7.736 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.771 -7.260 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.411 -6.467 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.030 -5.416 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.762 -4.270 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.478 -4.998 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.084 -4.035 -4.152 1.00 0.00 H new ATOM 536 N ALA A 35 -5.946 -3.518 -7.438 1.00 0.00 N ATOM 537 CA ALA A 35 -6.861 -2.436 -7.878 1.00 0.00 C ATOM 538 C ALA A 35 -6.895 -1.352 -6.792 1.00 0.00 C ATOM 539 O ALA A 35 -6.712 -0.182 -7.060 1.00 0.00 O ATOM 540 CB ALA A 35 -8.252 -3.026 -8.094 1.00 0.00 C ATOM 0 H ALA A 35 -6.388 -4.422 -7.269 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.518 -1.992 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.934 -2.240 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.203 -3.802 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.613 -3.458 -7.161 1.00 0.00 H new ATOM 546 N ALA A 36 -7.115 -1.742 -5.563 1.00 0.00 N ATOM 547 CA ALA A 36 -7.146 -0.752 -4.446 1.00 0.00 C ATOM 548 C ALA A 36 -5.728 -0.182 -4.226 1.00 0.00 C ATOM 549 O ALA A 36 -5.554 0.841 -3.593 1.00 0.00 O ATOM 550 CB ALA A 36 -7.643 -1.465 -3.165 1.00 0.00 C ATOM 0 H ALA A 36 -7.275 -2.710 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.820 0.070 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.671 -0.753 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.644 -1.863 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.965 -2.282 -2.917 1.00 0.00 H new ATOM 556 N ALA A 37 -4.719 -0.854 -4.722 1.00 0.00 N ATOM 557 CA ALA A 37 -3.319 -0.379 -4.518 1.00 0.00 C ATOM 558 C ALA A 37 -3.089 0.955 -5.227 1.00 0.00 C ATOM 559 O ALA A 37 -2.935 1.988 -4.603 1.00 0.00 O ATOM 560 CB ALA A 37 -2.344 -1.416 -5.077 1.00 0.00 C ATOM 0 H ALA A 37 -4.807 -1.715 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.153 -0.242 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.321 -1.070 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.485 -2.365 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.530 -1.553 -6.142 1.00 0.00 H new ATOM 566 N LEU A 38 -3.038 0.942 -6.528 1.00 0.00 N ATOM 567 CA LEU A 38 -2.786 2.216 -7.260 1.00 0.00 C ATOM 568 C LEU A 38 -3.944 3.181 -7.020 1.00 0.00 C ATOM 569 O LEU A 38 -3.789 4.384 -7.117 1.00 0.00 O ATOM 570 CB LEU A 38 -2.651 1.969 -8.759 1.00 0.00 C ATOM 571 CG LEU A 38 -1.581 0.883 -9.041 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.949 0.105 -10.311 1.00 0.00 C ATOM 573 CD2 LEU A 38 -0.207 1.540 -9.234 1.00 0.00 C ATOM 0 H LEU A 38 -3.158 0.115 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.854 2.643 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.611 1.656 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.377 2.896 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.543 0.200 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.193 -0.656 -10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.919 -0.373 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.996 0.791 -11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.540 0.771 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.249 2.230 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.065 2.086 -8.331 1.00 0.00 H new ATOM 585 N ASP A 39 -5.099 2.678 -6.683 1.00 0.00 N ATOM 586 CA ASP A 39 -6.229 3.603 -6.421 1.00 0.00 C ATOM 587 C ASP A 39 -5.812 4.447 -5.233 1.00 0.00 C ATOM 588 O ASP A 39 -6.076 5.632 -5.166 1.00 0.00 O ATOM 589 CB ASP A 39 -7.495 2.818 -6.079 1.00 0.00 C ATOM 590 CG ASP A 39 -8.662 3.791 -5.895 1.00 0.00 C ATOM 591 OD1 ASP A 39 -8.564 4.648 -5.031 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.634 3.665 -6.622 1.00 0.00 O ATOM 0 H ASP A 39 -5.305 1.684 -6.580 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.449 4.214 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.721 2.107 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.342 2.239 -5.168 1.00 0.00 H new ATOM 597 N ALA A 40 -5.105 3.847 -4.317 1.00 0.00 N ATOM 598 CA ALA A 40 -4.600 4.613 -3.157 1.00 0.00 C ATOM 599 C ALA A 40 -3.751 5.755 -3.727 1.00 0.00 C ATOM 600 O ALA A 40 -3.798 6.877 -3.265 1.00 0.00 O ATOM 601 CB ALA A 40 -3.760 3.677 -2.260 1.00 0.00 C ATOM 0 H ALA A 40 -4.858 2.858 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.406 5.017 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.384 4.235 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.382 2.852 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.920 3.282 -2.832 1.00 0.00 H new ATOM 607 N GLN A 41 -2.991 5.466 -4.758 1.00 0.00 N ATOM 608 CA GLN A 41 -2.152 6.524 -5.398 1.00 0.00 C ATOM 609 C GLN A 41 -3.030 7.761 -5.640 1.00 0.00 C ATOM 610 O GLN A 41 -2.582 8.887 -5.548 1.00 0.00 O ATOM 611 CB GLN A 41 -1.614 6.013 -6.763 1.00 0.00 C ATOM 612 CG GLN A 41 -0.275 6.694 -7.099 1.00 0.00 C ATOM 613 CD GLN A 41 -0.448 8.211 -7.030 1.00 0.00 C ATOM 614 OE1 GLN A 41 -1.364 8.786 -7.761 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 0.257 8.882 -6.304 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.917 4.541 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.312 6.771 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.481 4.932 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.341 6.219 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.496 6.372 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.056 6.399 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.973 8.434 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.133 9.894 -6.266 1.00 0.00 H new ATOM 624 N LYS A 42 -4.273 7.542 -5.989 1.00 0.00 N ATOM 625 CA LYS A 42 -5.197 8.686 -6.290 1.00 0.00 C ATOM 626 C LYS A 42 -6.097 9.044 -5.089 1.00 0.00 C ATOM 627 O LYS A 42 -6.882 9.967 -5.167 1.00 0.00 O ATOM 628 CB LYS A 42 -6.086 8.297 -7.476 1.00 0.00 C ATOM 629 CG LYS A 42 -5.245 7.584 -8.539 1.00 0.00 C ATOM 630 CD LYS A 42 -5.998 7.566 -9.876 1.00 0.00 C ATOM 631 CE LYS A 42 -5.057 7.089 -10.980 1.00 0.00 C ATOM 632 NZ LYS A 42 -4.794 5.630 -10.819 1.00 0.00 N ATOM 0 H LYS A 42 -4.692 6.617 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.586 9.560 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.893 7.646 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.550 9.186 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.287 8.091 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.028 6.564 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.863 6.906 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.374 8.563 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.499 7.283 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.120 7.644 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.222 5.290 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.279 5.466 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.697 5.115 -10.795 1.00 0.00 H new ATOM 646 N ALA A 43 -6.004 8.347 -3.986 1.00 0.00 N ATOM 647 CA ALA A 43 -6.874 8.694 -2.824 1.00 0.00 C ATOM 648 C ALA A 43 -6.302 8.066 -1.557 1.00 0.00 C ATOM 649 O ALA A 43 -6.617 6.945 -1.208 1.00 0.00 O ATOM 650 CB ALA A 43 -8.287 8.165 -3.056 1.00 0.00 C ATOM 0 H ALA A 43 -5.370 7.561 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.909 9.778 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.916 8.422 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.699 8.613 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.256 7.081 -3.170 1.00 0.00 H new ATOM 656 N THR A 44 -5.450 8.775 -0.876 1.00 0.00 N ATOM 657 CA THR A 44 -4.828 8.233 0.362 1.00 0.00 C ATOM 658 C THR A 44 -4.725 9.356 1.400 1.00 0.00 C ATOM 659 O THR A 44 -4.795 10.517 1.064 1.00 0.00 O ATOM 660 CB THR A 44 -3.440 7.689 -0.027 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.963 8.421 -1.148 1.00 0.00 O ATOM 662 CG2 THR A 44 -3.528 6.193 -0.405 1.00 0.00 C ATOM 0 H THR A 44 -5.154 9.718 -1.127 1.00 0.00 H new ATOM 0 HA THR A 44 -5.421 7.431 0.801 1.00 0.00 H new ATOM 0 HB THR A 44 -2.764 7.797 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.235 7.969 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.538 5.827 -0.677 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.904 5.624 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.204 6.071 -1.251 1.00 0.00 H new ATOM 916 N PHE A 61 4.980 10.191 -6.581 1.00 0.00 N ATOM 917 CA PHE A 61 4.437 9.692 -5.297 1.00 0.00 C ATOM 918 C PHE A 61 4.163 8.187 -5.465 1.00 0.00 C ATOM 919 O PHE A 61 4.343 7.412 -4.547 1.00 0.00 O ATOM 920 CB PHE A 61 3.170 10.494 -4.931 1.00 0.00 C ATOM 921 CG PHE A 61 2.904 10.460 -3.429 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.900 10.848 -2.507 1.00 0.00 C ATOM 923 CD2 PHE A 61 1.641 10.066 -2.956 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.629 10.831 -1.134 1.00 0.00 C ATOM 925 CE2 PHE A 61 1.378 10.056 -1.577 1.00 0.00 C ATOM 926 CZ PHE A 61 2.371 10.433 -0.670 1.00 0.00 C ATOM 0 HA PHE A 61 5.140 9.827 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.284 11.527 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.312 10.084 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.872 11.158 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.872 9.771 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.394 11.126 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.405 9.756 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.167 10.417 0.390 1.00 0.00 H new ATOM 936 N ARG A 62 3.794 7.753 -6.655 1.00 0.00 N ATOM 937 CA ARG A 62 3.596 6.288 -6.875 1.00 0.00 C ATOM 938 C ARG A 62 4.906 5.599 -6.527 1.00 0.00 C ATOM 939 O ARG A 62 4.927 4.516 -5.997 1.00 0.00 O ATOM 940 CB ARG A 62 3.260 5.985 -8.348 1.00 0.00 C ATOM 941 CG ARG A 62 2.644 4.570 -8.466 1.00 0.00 C ATOM 942 CD ARG A 62 2.997 3.932 -9.816 1.00 0.00 C ATOM 943 NE ARG A 62 2.579 2.503 -9.810 1.00 0.00 N ATOM 944 CZ ARG A 62 2.944 1.710 -10.781 1.00 0.00 C ATOM 945 NH1 ARG A 62 3.663 2.173 -11.768 1.00 0.00 N ATOM 946 NH2 ARG A 62 2.589 0.455 -10.767 1.00 0.00 N ATOM 0 H ARG A 62 3.625 8.345 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 62 2.770 5.936 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.561 6.729 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.162 6.051 -8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.010 3.941 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.561 4.630 -8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.498 4.465 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.069 4.008 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 62 2.007 2.143 -9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.940 3.155 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.948 1.553 -12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.026 0.093 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.874 -0.164 -11.526 1.00 0.00 H new ATOM 960 N HIS A 63 6.008 6.232 -6.819 1.00 0.00 N ATOM 961 CA HIS A 63 7.321 5.616 -6.499 1.00 0.00 C ATOM 962 C HIS A 63 7.302 5.183 -5.034 1.00 0.00 C ATOM 963 O HIS A 63 7.770 4.121 -4.688 1.00 0.00 O ATOM 964 CB HIS A 63 8.439 6.644 -6.732 1.00 0.00 C ATOM 965 CG HIS A 63 9.758 5.940 -6.904 1.00 0.00 C ATOM 966 ND1 HIS A 63 10.098 5.281 -8.077 1.00 0.00 N ATOM 967 CD2 HIS A 63 10.833 5.787 -6.064 1.00 0.00 C ATOM 968 CE1 HIS A 63 11.332 4.769 -7.911 1.00 0.00 C ATOM 969 NE2 HIS A 63 11.826 5.048 -6.701 1.00 0.00 N ATOM 0 H HIS A 63 6.054 7.148 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 63 7.503 4.752 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.217 7.240 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.492 7.333 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.898 6.181 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.859 4.202 -8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.735 4.778 -6.325 1.00 0.00 H new ATOM 977 N GLY A 64 6.739 5.993 -4.178 1.00 0.00 N ATOM 978 CA GLY A 64 6.670 5.618 -2.730 1.00 0.00 C ATOM 979 C GLY A 64 5.723 4.420 -2.561 1.00 0.00 C ATOM 980 O GLY A 64 6.021 3.461 -1.862 1.00 0.00 O ATOM 0 H GLY A 64 6.325 6.895 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.664 5.366 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.315 6.463 -2.140 1.00 0.00 H new ATOM 984 N PHE A 65 4.594 4.455 -3.213 1.00 0.00 N ATOM 985 CA PHE A 65 3.637 3.317 -3.109 1.00 0.00 C ATOM 986 C PHE A 65 4.240 2.141 -3.850 1.00 0.00 C ATOM 987 O PHE A 65 4.221 1.018 -3.395 1.00 0.00 O ATOM 988 CB PHE A 65 2.325 3.679 -3.815 1.00 0.00 C ATOM 989 CG PHE A 65 1.435 4.482 -2.907 1.00 0.00 C ATOM 990 CD1 PHE A 65 0.581 3.837 -2.007 1.00 0.00 C ATOM 991 CD2 PHE A 65 1.457 5.874 -2.977 1.00 0.00 C ATOM 992 CE1 PHE A 65 -0.250 4.593 -1.172 1.00 0.00 C ATOM 993 CE2 PHE A 65 0.631 6.625 -2.147 1.00 0.00 C ATOM 994 CZ PHE A 65 -0.222 5.990 -1.243 1.00 0.00 C ATOM 0 H PHE A 65 4.292 5.222 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 65 3.447 3.087 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.538 4.249 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.810 2.769 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.563 2.758 -1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.115 6.369 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.911 4.099 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.650 7.703 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.860 6.577 -0.599 1.00 0.00 H new ATOM 1004 N ASP A 66 4.756 2.420 -5.011 1.00 0.00 N ATOM 1005 CA ASP A 66 5.361 1.372 -5.867 1.00 0.00 C ATOM 1006 C ASP A 66 6.113 0.364 -4.992 1.00 0.00 C ATOM 1007 O ASP A 66 6.003 -0.834 -5.167 1.00 0.00 O ATOM 1008 CB ASP A 66 6.345 2.029 -6.833 1.00 0.00 C ATOM 1009 CG ASP A 66 6.876 0.981 -7.813 1.00 0.00 C ATOM 1010 OD1 ASP A 66 6.557 -0.182 -7.635 1.00 0.00 O ATOM 1011 OD2 ASP A 66 7.594 1.361 -8.724 1.00 0.00 O ATOM 0 H ASP A 66 4.783 3.358 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 66 4.578 0.856 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.853 2.835 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.171 2.476 -6.279 1.00 0.00 H new ATOM 1016 N ILE A 67 6.862 0.847 -4.038 1.00 0.00 N ATOM 1017 CA ILE A 67 7.602 -0.077 -3.138 1.00 0.00 C ATOM 1018 C ILE A 67 6.617 -0.841 -2.244 1.00 0.00 C ATOM 1019 O ILE A 67 6.549 -2.055 -2.279 1.00 0.00 O ATOM 1020 CB ILE A 67 8.578 0.712 -2.254 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.291 1.783 -3.106 1.00 0.00 C ATOM 1022 CG2 ILE A 67 9.599 -0.258 -1.640 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.610 2.211 -2.449 1.00 0.00 C ATOM 0 H ILE A 67 6.992 1.840 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 67 8.161 -0.784 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 67 8.036 1.210 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.487 1.390 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.641 2.650 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.295 0.297 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.078 -1.001 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.150 -0.759 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.096 2.966 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.407 2.625 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.266 1.346 -2.352 1.00 0.00 H new ATOM 1035 N LEU A 68 5.874 -0.146 -1.415 1.00 0.00 N ATOM 1036 CA LEU A 68 4.932 -0.865 -0.502 1.00 0.00 C ATOM 1037 C LEU A 68 3.934 -1.722 -1.298 1.00 0.00 C ATOM 1038 O LEU A 68 3.721 -2.872 -0.975 1.00 0.00 O ATOM 1039 CB LEU A 68 4.224 0.132 0.452 1.00 0.00 C ATOM 1040 CG LEU A 68 3.043 0.874 -0.228 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.709 0.150 0.024 1.00 0.00 C ATOM 1042 CD2 LEU A 68 2.931 2.300 0.350 1.00 0.00 C ATOM 0 H LEU A 68 5.878 0.871 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 68 5.508 -1.551 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.855 -0.406 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.949 0.863 0.811 1.00 0.00 H new ATOM 0 HG LEU A 68 3.239 0.901 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.901 0.695 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.762 -0.861 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.517 0.103 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.102 2.822 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.755 2.244 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.857 2.843 0.162 1.00 0.00 H new ATOM 1054 N VAL A 69 3.318 -1.204 -2.326 1.00 0.00 N ATOM 1055 CA VAL A 69 2.350 -2.050 -3.092 1.00 0.00 C ATOM 1056 C VAL A 69 3.083 -3.247 -3.700 1.00 0.00 C ATOM 1057 O VAL A 69 2.485 -4.248 -4.042 1.00 0.00 O ATOM 1058 CB VAL A 69 1.694 -1.238 -4.212 1.00 0.00 C ATOM 1059 CG1 VAL A 69 1.128 0.065 -3.644 1.00 0.00 C ATOM 1060 CG2 VAL A 69 2.721 -0.929 -5.312 1.00 0.00 C ATOM 0 H VAL A 69 3.437 -0.250 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 69 1.576 -2.397 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 69 0.881 -1.822 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.662 0.639 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.384 -0.164 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.934 0.649 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.244 -0.351 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.545 -0.354 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.104 -1.862 -5.725 1.00 0.00 H new ATOM 1070 N GLY A 70 4.371 -3.142 -3.849 1.00 0.00 N ATOM 1071 CA GLY A 70 5.149 -4.261 -4.451 1.00 0.00 C ATOM 1072 C GLY A 70 5.148 -5.464 -3.513 1.00 0.00 C ATOM 1073 O GLY A 70 5.006 -6.591 -3.944 1.00 0.00 O ATOM 0 H GLY A 70 4.922 -2.327 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.717 -4.539 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.173 -3.940 -4.643 1.00 0.00 H new ATOM 1077 N GLN A 71 5.310 -5.247 -2.239 1.00 0.00 N ATOM 1078 CA GLN A 71 5.324 -6.402 -1.301 1.00 0.00 C ATOM 1079 C GLN A 71 3.908 -6.966 -1.129 1.00 0.00 C ATOM 1080 O GLN A 71 3.735 -8.125 -0.807 1.00 0.00 O ATOM 1081 CB GLN A 71 5.905 -5.960 0.053 1.00 0.00 C ATOM 1082 CG GLN A 71 4.828 -5.257 0.916 1.00 0.00 C ATOM 1083 CD GLN A 71 4.142 -6.278 1.825 1.00 0.00 C ATOM 1084 OE1 GLN A 71 2.941 -6.249 2.004 1.00 0.00 O ATOM 1085 NE2 GLN A 71 4.870 -7.184 2.404 1.00 0.00 N ATOM 0 H GLN A 71 5.432 -4.330 -1.810 1.00 0.00 H new ATOM 0 HA GLN A 71 5.953 -7.191 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.294 -6.827 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.744 -5.283 -0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.287 -4.472 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.091 -4.776 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.878 -7.203 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.434 -7.876 3.013 1.00 0.00 H new ATOM 1094 N ILE A 72 2.890 -6.173 -1.347 1.00 0.00 N ATOM 1095 CA ILE A 72 1.508 -6.712 -1.195 1.00 0.00 C ATOM 1096 C ILE A 72 1.343 -7.861 -2.190 1.00 0.00 C ATOM 1097 O ILE A 72 1.044 -8.985 -1.834 1.00 0.00 O ATOM 1098 CB ILE A 72 0.472 -5.630 -1.529 1.00 0.00 C ATOM 1099 CG1 ILE A 72 0.489 -4.571 -0.431 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.928 -6.254 -1.606 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.390 -3.363 -0.813 1.00 0.00 C ATOM 0 H ILE A 72 2.954 -5.192 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 72 1.356 -7.045 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 72 0.717 -5.178 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.131 -5.005 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.513 -4.240 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.659 -5.481 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.943 -7.018 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.178 -6.707 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.360 -2.624 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.015 -2.917 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.418 -3.694 -0.963 1.00 0.00 H new ATOM 1113 N ASP A 73 1.542 -7.568 -3.447 1.00 0.00 N ATOM 1114 CA ASP A 73 1.407 -8.611 -4.494 1.00 0.00 C ATOM 1115 C ASP A 73 2.421 -9.720 -4.246 1.00 0.00 C ATOM 1116 O ASP A 73 2.141 -10.875 -4.453 1.00 0.00 O ATOM 1117 CB ASP A 73 1.653 -7.987 -5.871 1.00 0.00 C ATOM 1118 CG ASP A 73 3.130 -7.616 -6.023 1.00 0.00 C ATOM 1119 OD1 ASP A 73 3.915 -8.498 -6.331 1.00 0.00 O ATOM 1120 OD2 ASP A 73 3.449 -6.457 -5.832 1.00 0.00 O ATOM 0 H ASP A 73 1.794 -6.642 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 73 0.401 -9.030 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.364 -8.688 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.032 -7.099 -5.993 1.00 0.00 H new ATOM 1125 N ASP A 74 3.602 -9.405 -3.807 1.00 0.00 N ATOM 1126 CA ASP A 74 4.567 -10.502 -3.585 1.00 0.00 C ATOM 1127 C ASP A 74 3.971 -11.456 -2.561 1.00 0.00 C ATOM 1128 O ASP A 74 4.294 -12.627 -2.528 1.00 0.00 O ATOM 1129 CB ASP A 74 5.901 -9.942 -3.115 1.00 0.00 C ATOM 1130 CG ASP A 74 6.911 -11.082 -2.963 1.00 0.00 C ATOM 1131 OD1 ASP A 74 7.105 -11.806 -3.926 1.00 0.00 O ATOM 1132 OD2 ASP A 74 7.473 -11.211 -1.889 1.00 0.00 O ATOM 0 H ASP A 74 3.932 -8.463 -3.598 1.00 0.00 H new ATOM 0 HA ASP A 74 4.754 -11.041 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.271 -9.208 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.775 -9.425 -2.164 1.00 0.00 H new ATOM 1137 N ALA A 75 3.048 -10.989 -1.767 1.00 0.00 N ATOM 1138 CA ALA A 75 2.393 -11.913 -0.816 1.00 0.00 C ATOM 1139 C ALA A 75 1.507 -12.819 -1.668 1.00 0.00 C ATOM 1140 O ALA A 75 1.341 -13.994 -1.407 1.00 0.00 O ATOM 1141 CB ALA A 75 1.546 -11.144 0.192 1.00 0.00 C ATOM 0 H ALA A 75 2.726 -10.021 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 75 3.127 -12.481 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.074 -11.845 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.181 -10.457 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.777 -10.580 -0.335 1.00 0.00 H new ATOM 1147 N LEU A 76 0.977 -12.257 -2.727 1.00 0.00 N ATOM 1148 CA LEU A 76 0.132 -13.035 -3.678 1.00 0.00 C ATOM 1149 C LEU A 76 1.006 -14.164 -4.214 1.00 0.00 C ATOM 1150 O LEU A 76 0.589 -15.294 -4.373 1.00 0.00 O ATOM 1151 CB LEU A 76 -0.281 -12.083 -4.822 1.00 0.00 C ATOM 1152 CG LEU A 76 -1.502 -12.607 -5.598 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -2.150 -11.450 -6.375 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -1.083 -13.697 -6.595 1.00 0.00 C ATOM 0 H LEU A 76 1.098 -11.275 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.764 -13.444 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.508 -11.100 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.557 -11.956 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.210 -13.028 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.015 -11.821 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.468 -10.676 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.427 -11.032 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.961 -14.054 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.365 -13.285 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.625 -14.527 -6.056 1.00 0.00 H new ATOM 1166 N LYS A 77 2.236 -13.837 -4.469 1.00 0.00 N ATOM 1167 CA LYS A 77 3.219 -14.819 -4.980 1.00 0.00 C ATOM 1168 C LYS A 77 3.441 -15.921 -3.943 1.00 0.00 C ATOM 1169 O LYS A 77 3.471 -17.099 -4.247 1.00 0.00 O ATOM 1170 CB LYS A 77 4.522 -14.043 -5.217 1.00 0.00 C ATOM 1171 CG LYS A 77 5.392 -14.726 -6.265 1.00 0.00 C ATOM 1172 CD LYS A 77 6.707 -13.925 -6.434 1.00 0.00 C ATOM 1173 CE LYS A 77 7.772 -14.462 -5.470 1.00 0.00 C ATOM 1174 NZ LYS A 77 8.095 -15.875 -5.821 1.00 0.00 N ATOM 0 H LYS A 77 2.611 -12.897 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 77 2.870 -15.293 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.289 -13.028 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.074 -13.961 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.612 -15.750 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.861 -14.782 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.061 -14.003 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.527 -12.868 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.671 -13.848 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.410 -14.405 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.097 -16.063 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.500 -16.517 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.914 -16.031 -6.833 1.00 0.00 H new ATOM 1188 N LEU A 78 3.604 -15.528 -2.724 1.00 0.00 N ATOM 1189 CA LEU A 78 3.841 -16.488 -1.631 1.00 0.00 C ATOM 1190 C LEU A 78 2.608 -17.387 -1.445 1.00 0.00 C ATOM 1191 O LEU A 78 2.705 -18.595 -1.470 1.00 0.00 O ATOM 1192 CB LEU A 78 4.105 -15.646 -0.381 1.00 0.00 C ATOM 1193 CG LEU A 78 5.608 -15.604 -0.061 1.00 0.00 C ATOM 1194 CD1 LEU A 78 6.347 -14.838 -1.161 1.00 0.00 C ATOM 1195 CD2 LEU A 78 5.822 -14.899 1.274 1.00 0.00 C ATOM 0 H LEU A 78 3.582 -14.551 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 78 4.684 -17.146 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.732 -14.633 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.559 -16.062 0.466 1.00 0.00 H new ATOM 0 HG LEU A 78 5.994 -16.622 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.412 -14.810 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.195 -15.338 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.961 -13.820 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.887 -14.868 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.434 -13.882 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.298 -15.442 2.060 1.00 0.00 H new ATOM 1207 N ALA A 79 1.454 -16.808 -1.252 1.00 0.00 N ATOM 1208 CA ALA A 79 0.224 -17.630 -1.058 1.00 0.00 C ATOM 1209 C ALA A 79 0.178 -18.739 -2.113 1.00 0.00 C ATOM 1210 O ALA A 79 -0.152 -19.871 -1.821 1.00 0.00 O ATOM 1211 CB ALA A 79 -1.009 -16.732 -1.191 1.00 0.00 C ATOM 0 H ALA A 79 1.309 -15.799 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 79 0.236 -18.082 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.910 -17.328 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.971 -15.948 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.025 -16.280 -2.183 1.00 0.00 H new ATOM 1217 N ASN A 80 0.527 -18.435 -3.334 1.00 0.00 N ATOM 1218 CA ASN A 80 0.523 -19.490 -4.385 1.00 0.00 C ATOM 1219 C ASN A 80 1.542 -20.562 -3.994 1.00 0.00 C ATOM 1220 O ASN A 80 1.421 -21.716 -4.359 1.00 0.00 O ATOM 1221 CB ASN A 80 0.899 -18.873 -5.740 1.00 0.00 C ATOM 1222 CG ASN A 80 0.325 -17.457 -5.833 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -0.757 -17.155 -5.167 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 0.868 -16.615 -6.521 1.00 0.00 N flip ATOM 0 H ASN A 80 0.813 -17.507 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.469 -19.934 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.983 -18.845 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.511 -19.488 -6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.713 -16.849 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.479 -15.674 -6.578 1.00 0.00 H new ATOM 1231 N GLU A 81 2.540 -20.188 -3.238 1.00 0.00 N ATOM 1232 CA GLU A 81 3.565 -21.182 -2.802 1.00 0.00 C ATOM 1233 C GLU A 81 3.075 -21.868 -1.522 1.00 0.00 C ATOM 1234 O GLU A 81 3.779 -22.646 -0.909 1.00 0.00 O ATOM 1235 CB GLU A 81 4.894 -20.462 -2.532 1.00 0.00 C ATOM 1236 CG GLU A 81 5.981 -21.486 -2.156 1.00 0.00 C ATOM 1237 CD GLU A 81 7.368 -20.906 -2.450 1.00 0.00 C ATOM 1238 OE1 GLU A 81 7.444 -19.726 -2.747 1.00 0.00 O ATOM 1239 OE2 GLU A 81 8.329 -21.653 -2.371 1.00 0.00 O ATOM 0 H GLU A 81 2.690 -19.236 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 81 3.718 -21.928 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.200 -19.902 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.768 -19.740 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.901 -21.743 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.836 -22.407 -2.720 1.00 0.00 H new ATOM 1246 N GLY A 82 1.853 -21.608 -1.130 1.00 0.00 N ATOM 1247 CA GLY A 82 1.294 -22.263 0.092 1.00 0.00 C ATOM 1248 C GLY A 82 1.593 -21.441 1.352 1.00 0.00 C ATOM 1249 O GLY A 82 1.788 -21.991 2.418 1.00 0.00 O ATOM 0 H GLY A 82 1.216 -20.968 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.216 -22.384 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.718 -23.262 0.198 1.00 0.00 H new ATOM 1253 N LYS A 83 1.614 -20.135 1.258 1.00 0.00 N ATOM 1254 CA LYS A 83 1.882 -19.302 2.471 1.00 0.00 C ATOM 1255 C LYS A 83 0.561 -18.867 3.085 1.00 0.00 C ATOM 1256 O LYS A 83 0.170 -17.719 3.024 1.00 0.00 O ATOM 1257 CB LYS A 83 2.673 -18.060 2.077 1.00 0.00 C ATOM 1258 CG LYS A 83 4.075 -18.416 1.520 1.00 0.00 C ATOM 1259 CD LYS A 83 4.691 -19.663 2.175 1.00 0.00 C ATOM 1260 CE LYS A 83 6.135 -19.817 1.693 1.00 0.00 C ATOM 1261 NZ LYS A 83 6.933 -18.637 2.126 1.00 0.00 N ATOM 0 H LYS A 83 1.458 -19.611 0.397 1.00 0.00 H new ATOM 0 HA LYS A 83 2.453 -19.889 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.117 -17.499 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.782 -17.410 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.001 -18.578 0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.744 -17.568 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.664 -19.570 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.111 -20.549 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.569 -20.731 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.159 -19.907 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.147 -18.041 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.389 -18.086 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.822 -18.959 2.560 1.00 0.00 H new ATOM 1275 N VAL A 84 -0.117 -19.788 3.684 1.00 0.00 N ATOM 1276 CA VAL A 84 -1.419 -19.470 4.330 1.00 0.00 C ATOM 1277 C VAL A 84 -1.213 -18.459 5.466 1.00 0.00 C ATOM 1278 O VAL A 84 -1.779 -17.385 5.465 1.00 0.00 O ATOM 1279 CB VAL A 84 -2.024 -20.753 4.907 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.375 -20.433 5.553 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -2.219 -21.787 3.788 1.00 0.00 C ATOM 0 H VAL A 84 0.173 -20.763 3.759 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.089 -19.041 3.585 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.349 -21.164 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.807 -21.345 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.233 -19.706 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.048 -20.019 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.650 -22.697 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.890 -21.382 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.256 -22.017 3.333 1.00 0.00 H new ATOM 1291 N LYS A 85 -0.418 -18.810 6.444 1.00 0.00 N ATOM 1292 CA LYS A 85 -0.183 -17.894 7.597 1.00 0.00 C ATOM 1293 C LYS A 85 0.732 -16.734 7.183 1.00 0.00 C ATOM 1294 O LYS A 85 0.460 -15.582 7.455 1.00 0.00 O ATOM 1295 CB LYS A 85 0.462 -18.692 8.755 1.00 0.00 C ATOM 1296 CG LYS A 85 1.241 -19.922 8.219 1.00 0.00 C ATOM 1297 CD LYS A 85 2.412 -20.275 9.166 1.00 0.00 C ATOM 1298 CE LYS A 85 3.678 -19.490 8.783 1.00 0.00 C ATOM 1299 NZ LYS A 85 3.485 -18.040 9.067 1.00 0.00 N ATOM 0 H LYS A 85 0.081 -19.698 6.492 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.135 -17.478 7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.138 -18.045 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.311 -19.021 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.568 -20.775 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.624 -19.711 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.135 -20.048 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.614 -21.345 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.533 -19.868 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.900 -19.635 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.402 -17.551 9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.836 -17.632 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.082 -17.923 10.019 1.00 0.00 H new ATOM 1313 N GLU A 86 1.822 -17.044 6.553 1.00 0.00 N ATOM 1314 CA GLU A 86 2.791 -15.999 6.133 1.00 0.00 C ATOM 1315 C GLU A 86 2.069 -14.920 5.307 1.00 0.00 C ATOM 1316 O GLU A 86 2.287 -13.741 5.495 1.00 0.00 O ATOM 1317 CB GLU A 86 3.884 -16.697 5.287 1.00 0.00 C ATOM 1318 CG GLU A 86 5.206 -16.804 6.061 1.00 0.00 C ATOM 1319 CD GLU A 86 6.326 -17.225 5.104 1.00 0.00 C ATOM 1320 OE1 GLU A 86 6.236 -16.893 3.934 1.00 0.00 O ATOM 1321 OE2 GLU A 86 7.254 -17.873 5.559 1.00 0.00 O ATOM 0 H GLU A 86 2.090 -17.997 6.305 1.00 0.00 H new ATOM 0 HA GLU A 86 3.240 -15.510 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.545 -17.693 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.044 -16.139 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.448 -15.847 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.110 -17.531 6.867 1.00 0.00 H new ATOM 1328 N ALA A 87 1.220 -15.307 4.397 1.00 0.00 N ATOM 1329 CA ALA A 87 0.505 -14.286 3.573 1.00 0.00 C ATOM 1330 C ALA A 87 -0.384 -13.427 4.475 1.00 0.00 C ATOM 1331 O ALA A 87 -0.384 -12.214 4.387 1.00 0.00 O ATOM 1332 CB ALA A 87 -0.362 -14.980 2.524 1.00 0.00 C ATOM 0 H ALA A 87 0.989 -16.278 4.187 1.00 0.00 H new ATOM 0 HA ALA A 87 1.240 -13.654 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.881 -14.230 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.269 -15.588 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.093 -15.618 3.021 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.139 -14.041 5.347 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.020 -13.249 6.253 1.00 0.00 C ATOM 1340 C GLN A 88 -1.143 -12.364 7.146 1.00 0.00 C ATOM 1341 O GLN A 88 -1.424 -11.200 7.353 1.00 0.00 O ATOM 1342 CB GLN A 88 -2.851 -14.202 7.124 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.102 -14.636 6.359 1.00 0.00 C ATOM 1344 CD GLN A 88 -4.924 -15.595 7.219 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.404 -15.184 8.357 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -5.131 -16.733 6.849 1.00 0.00 N flip ATOM 0 H GLN A 88 -1.184 -15.052 5.471 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.694 -12.626 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.257 -15.075 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.134 -13.708 8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.700 -13.764 6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.819 -15.121 5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.755 -17.056 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.681 -17.366 7.430 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.078 -12.907 7.673 1.00 0.00 N ATOM 1356 CA ALA A 89 0.818 -12.094 8.544 1.00 0.00 C ATOM 1357 C ALA A 89 1.399 -10.944 7.721 1.00 0.00 C ATOM 1358 O ALA A 89 1.478 -9.814 8.169 1.00 0.00 O ATOM 1359 CB ALA A 89 1.952 -12.974 9.074 1.00 0.00 C ATOM 0 H ALA A 89 0.209 -13.876 7.538 1.00 0.00 H new ATOM 0 HA ALA A 89 0.254 -11.694 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.607 -12.379 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.533 -13.798 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.525 -13.373 8.237 1.00 0.00 H new ATOM 1365 N ALA A 90 1.780 -11.217 6.504 1.00 0.00 N ATOM 1366 CA ALA A 90 2.326 -10.130 5.651 1.00 0.00 C ATOM 1367 C ALA A 90 1.227 -9.090 5.493 1.00 0.00 C ATOM 1368 O ALA A 90 1.472 -7.922 5.282 1.00 0.00 O ATOM 1369 CB ALA A 90 2.706 -10.689 4.278 1.00 0.00 C ATOM 0 H ALA A 90 1.737 -12.138 6.068 1.00 0.00 H new ATOM 0 HA ALA A 90 3.216 -9.693 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.106 -9.888 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.461 -11.466 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.822 -11.112 3.800 1.00 0.00 H new ATOM 1375 N ALA A 91 0.008 -9.520 5.622 1.00 0.00 N ATOM 1376 CA ALA A 91 -1.132 -8.582 5.510 1.00 0.00 C ATOM 1377 C ALA A 91 -1.029 -7.549 6.637 1.00 0.00 C ATOM 1378 O ALA A 91 -1.158 -6.360 6.422 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.433 -9.389 5.631 1.00 0.00 C ATOM 0 H ALA A 91 -0.248 -10.491 5.802 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.121 -8.061 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.287 -8.716 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.478 -10.129 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.459 -9.895 6.596 1.00 0.00 H new ATOM 1385 N GLU A 92 -0.788 -8.003 7.838 1.00 0.00 N ATOM 1386 CA GLU A 92 -0.665 -7.061 8.985 1.00 0.00 C ATOM 1387 C GLU A 92 0.536 -6.144 8.750 1.00 0.00 C ATOM 1388 O GLU A 92 0.694 -5.134 9.407 1.00 0.00 O ATOM 1389 CB GLU A 92 -0.488 -7.862 10.290 1.00 0.00 C ATOM 1390 CG GLU A 92 -1.861 -8.158 10.917 1.00 0.00 C ATOM 1391 CD GLU A 92 -1.757 -9.361 11.859 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -0.644 -9.767 12.149 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -2.792 -9.854 12.275 1.00 0.00 O ATOM 0 H GLU A 92 -0.671 -8.989 8.073 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.565 -6.453 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.036 -8.796 10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.127 -7.299 10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.215 -7.285 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.592 -8.361 10.134 1.00 0.00 H new ATOM 1400 N GLN A 93 1.371 -6.468 7.802 1.00 0.00 N ATOM 1401 CA GLN A 93 2.535 -5.594 7.517 1.00 0.00 C ATOM 1402 C GLN A 93 2.007 -4.367 6.794 1.00 0.00 C ATOM 1403 O GLN A 93 2.398 -3.256 7.077 1.00 0.00 O ATOM 1404 CB GLN A 93 3.576 -6.391 6.673 1.00 0.00 C ATOM 1405 CG GLN A 93 3.552 -6.049 5.158 1.00 0.00 C ATOM 1406 CD GLN A 93 4.310 -4.748 4.905 1.00 0.00 C ATOM 1407 OE1 GLN A 93 4.797 -4.515 3.817 1.00 0.00 O ATOM 1408 NE2 GLN A 93 4.432 -3.886 5.866 1.00 0.00 N ATOM 0 H GLN A 93 1.295 -7.299 7.215 1.00 0.00 H new ATOM 0 HA GLN A 93 3.046 -5.272 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.574 -6.194 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.390 -7.458 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.004 -6.860 4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.522 -5.952 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.024 -4.080 6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.936 -3.014 5.708 1.00 0.00 H new ATOM 1417 N LEU A 94 1.110 -4.558 5.877 1.00 0.00 N ATOM 1418 CA LEU A 94 0.553 -3.399 5.142 1.00 0.00 C ATOM 1419 C LEU A 94 -0.337 -2.577 6.088 1.00 0.00 C ATOM 1420 O LEU A 94 -0.360 -1.364 6.032 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.218 -3.904 3.897 1.00 0.00 C ATOM 1422 CG LEU A 94 0.055 -3.014 2.670 1.00 0.00 C ATOM 1423 CD1 LEU A 94 -0.188 -1.542 3.005 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.504 -3.207 2.180 1.00 0.00 C ATOM 0 H LEU A 94 0.738 -5.468 5.604 1.00 0.00 H new ATOM 0 HA LEU A 94 1.351 -2.745 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.075 -4.930 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.287 -3.916 4.109 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.631 -3.309 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.011 -0.931 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.224 -1.406 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.476 -1.239 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.682 -2.572 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.197 -2.936 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.659 -4.250 1.904 1.00 0.00 H new ATOM 1436 N LYS A 95 -1.041 -3.216 6.977 1.00 0.00 N ATOM 1437 CA LYS A 95 -1.883 -2.444 7.937 1.00 0.00 C ATOM 1438 C LYS A 95 -0.980 -1.450 8.681 1.00 0.00 C ATOM 1439 O LYS A 95 -1.107 -0.237 8.566 1.00 0.00 O ATOM 1440 CB LYS A 95 -2.517 -3.402 8.958 1.00 0.00 C ATOM 1441 CG LYS A 95 -3.588 -4.273 8.278 1.00 0.00 C ATOM 1442 CD LYS A 95 -4.004 -5.466 9.200 1.00 0.00 C ATOM 1443 CE LYS A 95 -5.474 -5.344 9.629 1.00 0.00 C ATOM 1444 NZ LYS A 95 -5.711 -6.201 10.825 1.00 0.00 N ATOM 0 H LYS A 95 -1.072 -4.230 7.083 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.671 -1.918 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.748 -4.037 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.965 -2.832 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.463 -3.666 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.205 -4.656 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.852 -6.408 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.365 -5.488 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.713 -4.306 9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.129 -5.649 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.706 -6.121 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.498 -7.192 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.095 -5.890 11.603 1.00 0.00 H new ATOM 1458 N THR A 96 -0.062 -1.965 9.451 1.00 0.00 N ATOM 1459 CA THR A 96 0.857 -1.083 10.216 1.00 0.00 C ATOM 1460 C THR A 96 1.779 -0.315 9.263 1.00 0.00 C ATOM 1461 O THR A 96 2.323 0.709 9.625 1.00 0.00 O ATOM 1462 CB THR A 96 1.694 -1.927 11.183 1.00 0.00 C ATOM 1463 OG1 THR A 96 0.870 -2.919 11.778 1.00 0.00 O ATOM 1464 CG2 THR A 96 2.280 -1.030 12.276 1.00 0.00 C ATOM 0 H THR A 96 0.090 -2.965 9.583 1.00 0.00 H new ATOM 0 HA THR A 96 0.265 -0.364 10.782 1.00 0.00 H new ATOM 0 HB THR A 96 2.506 -2.406 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.404 -3.461 12.396 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.875 -1.633 12.962 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.913 -0.268 11.821 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.470 -0.549 12.825 1.00 0.00 H new ATOM 1472 N THR A 97 1.972 -0.780 8.044 1.00 0.00 N ATOM 1473 CA THR A 97 2.870 -0.021 7.116 1.00 0.00 C ATOM 1474 C THR A 97 2.430 1.439 7.127 1.00 0.00 C ATOM 1475 O THR A 97 3.200 2.324 7.397 1.00 0.00 O ATOM 1476 CB THR A 97 2.764 -0.540 5.676 1.00 0.00 C ATOM 1477 OG1 THR A 97 3.360 -1.816 5.583 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.488 0.413 4.717 1.00 0.00 C ATOM 0 H THR A 97 1.557 -1.630 7.663 1.00 0.00 H new ATOM 0 HA THR A 97 3.900 -0.142 7.451 1.00 0.00 H new ATOM 0 HB THR A 97 1.710 -0.601 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.120 -2.347 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.406 0.035 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.033 1.402 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.540 0.480 4.996 1.00 0.00 H new ATOM 1486 N ILE A 98 1.183 1.676 6.826 1.00 0.00 N ATOM 1487 CA ILE A 98 0.653 3.064 6.817 1.00 0.00 C ATOM 1488 C ILE A 98 0.848 3.699 8.199 1.00 0.00 C ATOM 1489 O ILE A 98 1.443 4.748 8.323 1.00 0.00 O ATOM 1490 CB ILE A 98 -0.847 3.007 6.424 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -0.992 2.795 4.875 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -1.592 4.294 6.865 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -1.571 1.406 4.573 1.00 0.00 C ATOM 0 H ILE A 98 0.502 0.956 6.583 1.00 0.00 H new ATOM 0 HA ILE A 98 1.187 3.680 6.093 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.302 2.163 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.641 3.564 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.019 2.902 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.641 4.225 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.520 4.403 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.139 5.160 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.664 1.277 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.907 0.640 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.553 1.313 5.036 1.00 0.00 H new ATOM 1505 N ARG A 99 0.348 3.095 9.239 1.00 0.00 N ATOM 1506 CA ARG A 99 0.510 3.714 10.582 1.00 0.00 C ATOM 1507 C ARG A 99 2.001 3.919 10.921 1.00 0.00 C ATOM 1508 O ARG A 99 2.406 4.989 11.327 1.00 0.00 O ATOM 1509 CB ARG A 99 -0.146 2.784 11.614 1.00 0.00 C ATOM 1510 CG ARG A 99 -0.674 3.578 12.834 1.00 0.00 C ATOM 1511 CD ARG A 99 0.332 3.519 13.990 1.00 0.00 C ATOM 1512 NE ARG A 99 0.374 2.133 14.539 1.00 0.00 N ATOM 1513 CZ ARG A 99 1.073 1.875 15.611 1.00 0.00 C ATOM 1514 NH1 ARG A 99 1.756 2.824 16.190 1.00 0.00 N ATOM 1515 NH2 ARG A 99 1.093 0.665 16.102 1.00 0.00 N ATOM 0 H ARG A 99 -0.160 2.211 9.219 1.00 0.00 H new ATOM 0 HA ARG A 99 0.035 4.695 10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.968 2.242 11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.577 2.040 11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.851 4.616 12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.631 3.168 13.156 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.322 3.814 13.641 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.047 4.223 14.772 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.144 1.386 14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.744 3.769 15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.302 2.621 17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.562 -0.078 15.648 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.639 0.463 16.940 1.00 0.00 H new ATOM 1529 N ALA A 100 2.810 2.904 10.776 1.00 0.00 N ATOM 1530 CA ALA A 100 4.266 3.050 11.113 1.00 0.00 C ATOM 1531 C ALA A 100 4.913 4.105 10.211 1.00 0.00 C ATOM 1532 O ALA A 100 5.817 4.815 10.608 1.00 0.00 O ATOM 1533 CB ALA A 100 4.972 1.707 10.911 1.00 0.00 C ATOM 0 H ALA A 100 2.532 1.982 10.441 1.00 0.00 H new ATOM 0 HA ALA A 100 4.360 3.364 12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.029 1.811 11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.521 0.958 11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.869 1.394 9.872 1.00 0.00 H new ATOM 1539 N TYR A 101 4.448 4.208 9.005 1.00 0.00 N ATOM 1540 CA TYR A 101 5.005 5.206 8.049 1.00 0.00 C ATOM 1541 C TYR A 101 4.587 6.596 8.517 1.00 0.00 C ATOM 1542 O TYR A 101 4.898 7.578 7.884 1.00 0.00 O ATOM 1543 CB TYR A 101 4.415 4.933 6.647 1.00 0.00 C ATOM 1544 CG TYR A 101 5.239 3.909 5.891 1.00 0.00 C ATOM 1545 CD1 TYR A 101 5.937 2.907 6.582 1.00 0.00 C ATOM 1546 CD2 TYR A 101 5.309 3.969 4.489 1.00 0.00 C ATOM 1547 CE1 TYR A 101 6.705 1.974 5.876 1.00 0.00 C ATOM 1548 CE2 TYR A 101 6.075 3.031 3.786 1.00 0.00 C ATOM 1549 CZ TYR A 101 6.775 2.036 4.480 1.00 0.00 C ATOM 1550 OH TYR A 101 7.536 1.116 3.787 1.00 0.00 O ATOM 0 H TYR A 101 3.692 3.635 8.630 1.00 0.00 H new ATOM 0 HA TYR A 101 6.092 5.137 8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.390 4.577 6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.377 5.863 6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.882 2.856 7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.772 4.738 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.244 1.205 6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.126 3.075 2.708 1.00 0.00 H new ATOM 0 HH TYR A 101 7.476 1.299 2.826 1.00 0.00 H new ATOM 1560 N ASN A 102 3.829 6.645 9.589 1.00 0.00 N ATOM 1561 CA ASN A 102 3.283 7.930 10.127 1.00 0.00 C ATOM 1562 C ASN A 102 1.956 8.116 9.428 1.00 0.00 C ATOM 1563 O ASN A 102 1.793 9.024 8.635 1.00 0.00 O ATOM 1564 CB ASN A 102 4.187 9.137 9.827 1.00 0.00 C ATOM 1565 CG ASN A 102 3.713 10.327 10.657 1.00 0.00 C ATOM 1566 OD1 ASN A 102 4.288 10.643 11.680 1.00 0.00 O ATOM 1567 ND2 ASN A 102 2.672 11.007 10.249 1.00 0.00 N ATOM 0 H ASN A 102 3.560 5.821 10.127 1.00 0.00 H new ATOM 0 HA ASN A 102 3.203 7.877 11.213 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.224 8.900 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.152 9.380 8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.340 11.806 10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.192 10.739 9.390 1.00 0.00 H new ATOM 1574 N GLN A 103 1.016 7.230 9.660 1.00 0.00 N ATOM 1575 CA GLN A 103 -0.266 7.322 8.947 1.00 0.00 C ATOM 1576 C GLN A 103 0.060 7.524 7.467 1.00 0.00 C ATOM 1577 O GLN A 103 -0.380 8.451 6.818 1.00 0.00 O ATOM 1578 CB GLN A 103 -1.060 8.481 9.523 1.00 0.00 C ATOM 1579 CG GLN A 103 -1.976 7.972 10.642 1.00 0.00 C ATOM 1580 CD GLN A 103 -3.113 7.159 10.029 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -3.067 6.858 8.760 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -4.053 6.794 10.708 1.00 0.00 N flip ATOM 0 H GLN A 103 1.096 6.452 10.315 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.873 6.423 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.383 9.241 9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.654 8.953 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.409 7.357 11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.378 8.811 11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.088 7.030 11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.807 6.252 10.286 1.00 0.00 H new ATOM 1591 N LYS A 104 0.853 6.618 6.971 1.00 0.00 N ATOM 1592 CA LYS A 104 1.298 6.614 5.569 1.00 0.00 C ATOM 1593 C LYS A 104 2.078 7.896 5.253 1.00 0.00 C ATOM 1594 O LYS A 104 3.293 7.898 5.310 1.00 0.00 O ATOM 1595 CB LYS A 104 0.067 6.404 4.693 1.00 0.00 C ATOM 1596 CG LYS A 104 0.339 6.770 3.235 1.00 0.00 C ATOM 1597 CD LYS A 104 1.657 6.116 2.774 1.00 0.00 C ATOM 1598 CE LYS A 104 1.741 6.159 1.252 1.00 0.00 C ATOM 1599 NZ LYS A 104 1.157 7.438 0.757 1.00 0.00 N ATOM 0 H LYS A 104 1.225 5.843 7.520 1.00 0.00 H new ATOM 0 HA LYS A 104 1.995 5.801 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.249 5.362 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.756 7.009 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.485 6.434 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.402 7.853 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.507 6.640 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.705 5.084 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.779 6.073 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.205 5.312 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.995 7.372 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.253 7.616 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.815 8.219 0.954 1.00 0.00 H new ATOM 1613 N TYR A 105 1.429 8.972 4.915 1.00 0.00 N ATOM 1614 CA TYR A 105 2.184 10.225 4.594 1.00 0.00 C ATOM 1615 C TYR A 105 1.388 11.432 5.100 1.00 0.00 C ATOM 1616 O TYR A 105 1.686 12.566 4.779 1.00 0.00 O ATOM 1617 CB TYR A 105 2.413 10.321 3.058 1.00 0.00 C ATOM 1618 CG TYR A 105 3.892 10.388 2.745 1.00 0.00 C ATOM 1619 CD1 TYR A 105 4.656 9.218 2.766 1.00 0.00 C ATOM 1620 CD2 TYR A 105 4.496 11.614 2.436 1.00 0.00 C ATOM 1621 CE1 TYR A 105 6.021 9.268 2.480 1.00 0.00 C ATOM 1622 CE2 TYR A 105 5.865 11.665 2.149 1.00 0.00 C ATOM 1623 CZ TYR A 105 6.628 10.492 2.171 1.00 0.00 C ATOM 1624 OH TYR A 105 7.979 10.541 1.890 1.00 0.00 O ATOM 0 H TYR A 105 0.414 9.044 4.846 1.00 0.00 H new ATOM 0 HA TYR A 105 3.157 10.211 5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.970 9.457 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.912 11.205 2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 105 4.189 8.274 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 105 3.906 12.518 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.610 8.363 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.332 12.609 1.911 1.00 0.00 H new ATOM 0 HH TYR A 105 8.239 11.466 1.696 1.00 0.00 H new ATOM 1634 N GLY A 106 0.374 11.197 5.885 1.00 0.00 N ATOM 1635 CA GLY A 106 -0.439 12.331 6.405 1.00 0.00 C ATOM 1636 C GLY A 106 0.300 13.003 7.564 1.00 0.00 C ATOM 1637 O GLY A 106 0.728 14.132 7.391 1.00 0.00 O ATOM 1638 OXT GLY A 106 0.427 12.376 8.602 1.00 0.00 O ATOM 0 H GLY A 106 0.074 10.271 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.624 13.054 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.411 11.971 6.741 1.00 0.00 H new