USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 907 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 108 SER OG : rot 180:sc= 0.917 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -143:sc= 1.07 (180deg=-0.0178) USER MOD Set 2.1: A 103 GLN : amide:sc= -2.24 K(o=-12,f=-8.2) USER MOD Set 2.2: A 104 GLN : amide:sc= -9.31! C(o=-12!,f=-9.6!) USER MOD Set 3.1: A 98 ASN : amide:sc= -1.08 K(o=-1,f=1) USER MOD Set 3.2: A 99 SER OG : rot 78:sc= 0.0809 USER MOD Set 4.1: A 62 THR OG1 : rot 180:sc= 0.071 USER MOD Set 4.2: A 64 THR OG1 : rot -84:sc= 0.0722 USER MOD Single : A 8 SER OG : rot 70:sc= -4.03! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.237 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= 0.0606 (180deg=0) USER MOD Single : A 35 TYR OH : rot 50:sc= -0.198 USER MOD Single : A 37 SER OG : rot 6:sc= 1.21 USER MOD Single : A 39 GLN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 133:sc= -4.99! (180deg=-8.41!) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0.0482 (180deg=0.0233) USER MOD Single : A 57 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.36) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.551 K(o=-0.55,f=0) USER MOD Single : A 82 TYR OH : rot 37:sc= 0.0086 USER MOD Single : A 84 ASN : amide:sc= -5.67 K(o=-5.7,f=-6.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 138:sc= -0.643 (180deg=-1.65!) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.623 4.399 -12.988 1.00 0.00 N ATOM 15 CA ARG A 2 7.803 4.582 -11.553 1.00 0.00 C ATOM 16 C ARG A 2 7.226 3.401 -10.777 1.00 0.00 C ATOM 17 O ARG A 2 6.740 2.438 -11.371 1.00 0.00 O ATOM 18 CB ARG A 2 7.141 5.887 -11.096 1.00 0.00 C ATOM 19 CG ARG A 2 5.679 6.007 -11.496 1.00 0.00 C ATOM 20 CD ARG A 2 5.523 6.609 -12.884 1.00 0.00 C ATOM 21 NE ARG A 2 5.661 8.063 -12.869 1.00 0.00 N ATOM 22 CZ ARG A 2 5.196 8.864 -13.826 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.567 8.356 -14.879 1.00 0.00 N ATOM 24 NH2 ARG A 2 5.360 10.176 -13.731 1.00 0.00 N ATOM 0 HA ARG A 2 8.872 4.637 -11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.218 5.962 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.693 6.729 -11.514 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.213 5.022 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.153 6.626 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.271 6.181 -13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.546 6.342 -13.287 1.00 0.00 H new ATOM 0 HE ARG A 2 6.142 8.491 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.438 7.347 -14.958 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.213 8.974 -15.609 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.843 10.573 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.004 10.789 -14.464 1.00 0.00 H new ATOM 38 N LEU A 3 7.281 3.482 -9.449 1.00 0.00 N ATOM 39 CA LEU A 3 6.761 2.416 -8.592 1.00 0.00 C ATOM 40 C LEU A 3 5.369 1.987 -9.042 1.00 0.00 C ATOM 41 O LEU A 3 4.407 2.741 -8.916 1.00 0.00 O ATOM 42 CB LEU A 3 6.713 2.887 -7.137 1.00 0.00 C ATOM 43 CG LEU A 3 6.866 1.779 -6.093 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.157 1.008 -6.319 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.825 2.364 -4.687 1.00 0.00 C ATOM 0 H LEU A 3 7.679 4.273 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 3 7.430 1.559 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.503 3.622 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.765 3.397 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 3 6.032 1.085 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.249 0.224 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.143 0.559 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.005 1.688 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.935 1.563 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.639 3.079 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.872 2.869 -4.531 1.00 0.00 H new ATOM 57 N GLU A 4 5.271 0.774 -9.577 1.00 0.00 N ATOM 58 CA GLU A 4 3.997 0.260 -10.051 1.00 0.00 C ATOM 59 C GLU A 4 3.976 -1.266 -10.041 1.00 0.00 C ATOM 60 O GLU A 4 5.022 -1.916 -10.052 1.00 0.00 O ATOM 61 CB GLU A 4 3.721 0.777 -11.467 1.00 0.00 C ATOM 62 CG GLU A 4 4.531 0.077 -12.549 1.00 0.00 C ATOM 63 CD GLU A 4 4.705 0.928 -13.791 1.00 0.00 C ATOM 64 OE1 GLU A 4 5.574 1.826 -13.779 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.973 0.697 -14.776 1.00 0.00 O ATOM 0 H GLU A 4 6.056 0.133 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 4 3.217 0.613 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.660 0.657 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.935 1.845 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.512 -0.184 -12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.038 -0.857 -12.819 1.00 0.00 H new ATOM 72 N GLY A 5 2.774 -1.826 -10.024 1.00 0.00 N ATOM 73 CA GLY A 5 2.619 -3.268 -10.016 1.00 0.00 C ATOM 74 C GLY A 5 1.328 -3.690 -9.352 1.00 0.00 C ATOM 75 O GLY A 5 0.345 -2.952 -9.378 1.00 0.00 O ATOM 0 H GLY A 5 1.898 -1.304 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.640 -3.642 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.462 -3.721 -9.494 1.00 0.00 H new ATOM 79 N TRP A 6 1.325 -4.872 -8.750 1.00 0.00 N ATOM 80 CA TRP A 6 0.134 -5.369 -8.078 1.00 0.00 C ATOM 81 C TRP A 6 0.406 -5.640 -6.610 1.00 0.00 C ATOM 82 O TRP A 6 1.303 -6.407 -6.261 1.00 0.00 O ATOM 83 CB TRP A 6 -0.371 -6.645 -8.740 1.00 0.00 C ATOM 84 CG TRP A 6 -0.607 -6.480 -10.199 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.338 -6.477 -11.170 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.863 -6.287 -10.852 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.244 -6.279 -12.394 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.600 -6.166 -12.227 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.183 -6.205 -10.404 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.611 -5.965 -13.162 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.187 -6.005 -11.332 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.897 -5.887 -12.699 1.00 0.00 C ATOM 0 H TRP A 6 2.128 -5.500 -8.714 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.630 -4.596 -8.160 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.354 -7.443 -8.581 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.298 -6.957 -8.259 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.397 -6.611 -11.003 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.251 -6.225 -13.284 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.415 -6.296 -9.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.389 -5.874 -14.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.212 -5.938 -10.999 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.704 -5.732 -13.400 1.00 0.00 H new ATOM 103 N LEU A 7 -0.392 -5.023 -5.758 1.00 0.00 N ATOM 104 CA LEU A 7 -0.264 -5.211 -4.326 1.00 0.00 C ATOM 105 C LEU A 7 -1.569 -5.762 -3.777 1.00 0.00 C ATOM 106 O LEU A 7 -2.633 -5.544 -4.352 1.00 0.00 O ATOM 107 CB LEU A 7 0.111 -3.903 -3.638 1.00 0.00 C ATOM 108 CG LEU A 7 1.510 -3.384 -3.980 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.647 -1.923 -3.591 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.574 -4.222 -3.288 1.00 0.00 C ATOM 0 H LEU A 7 -1.138 -4.385 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 7 0.536 -5.924 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.621 -3.142 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.043 -4.042 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 7 1.653 -3.467 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.648 -1.572 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.909 -1.332 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.483 -1.815 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.562 -3.838 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.432 -4.171 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.491 -5.258 -3.616 1.00 0.00 H new ATOM 122 N SER A 8 -1.480 -6.500 -2.687 1.00 0.00 N ATOM 123 CA SER A 8 -2.661 -7.108 -2.098 1.00 0.00 C ATOM 124 C SER A 8 -3.290 -6.222 -1.033 1.00 0.00 C ATOM 125 O SER A 8 -2.604 -5.666 -0.175 1.00 0.00 O ATOM 126 CB SER A 8 -2.316 -8.481 -1.518 1.00 0.00 C ATOM 127 OG SER A 8 -2.596 -8.542 -0.128 1.00 0.00 O ATOM 0 H SER A 8 -0.609 -6.693 -2.193 1.00 0.00 H new ATOM 0 HA SER A 8 -3.398 -7.230 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.885 -9.251 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.261 -8.694 -1.688 1.00 0.00 H new ATOM 0 HG SER A 8 -3.566 -8.538 0.011 1.00 0.00 H new ATOM 133 N LEU A 9 -4.610 -6.113 -1.096 1.00 0.00 N ATOM 134 CA LEU A 9 -5.368 -5.316 -0.144 1.00 0.00 C ATOM 135 C LEU A 9 -6.424 -6.181 0.539 1.00 0.00 C ATOM 136 O LEU A 9 -6.960 -7.108 -0.068 1.00 0.00 O ATOM 137 CB LEU A 9 -6.033 -4.132 -0.848 1.00 0.00 C ATOM 138 CG LEU A 9 -5.065 -3.137 -1.495 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.964 -3.386 -2.994 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.505 -1.706 -1.216 1.00 0.00 C ATOM 0 H LEU A 9 -5.182 -6.572 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.683 -4.931 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.704 -4.516 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.650 -3.598 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.077 -3.283 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.272 -2.669 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.600 -4.398 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.947 -3.269 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.806 -1.013 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.503 -1.546 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.522 -1.534 -0.140 1.00 0.00 H new ATOM 152 N PRO A 10 -6.734 -5.897 1.812 1.00 0.00 N ATOM 153 CA PRO A 10 -7.729 -6.666 2.568 1.00 0.00 C ATOM 154 C PRO A 10 -9.108 -6.626 1.919 1.00 0.00 C ATOM 155 O PRO A 10 -9.780 -5.595 1.928 1.00 0.00 O ATOM 156 CB PRO A 10 -7.761 -5.977 3.939 1.00 0.00 C ATOM 157 CG PRO A 10 -7.150 -4.634 3.718 1.00 0.00 C ATOM 158 CD PRO A 10 -6.146 -4.815 2.618 1.00 0.00 C ATOM 0 HA PRO A 10 -7.468 -7.723 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.782 -5.889 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.200 -6.547 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.907 -3.901 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.672 -4.268 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.015 -3.903 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.165 -5.088 3.007 1.00 0.00 H new ATOM 166 N VAL A 11 -9.524 -7.757 1.355 1.00 0.00 N ATOM 167 CA VAL A 11 -10.825 -7.853 0.700 1.00 0.00 C ATOM 168 C VAL A 11 -11.766 -8.771 1.463 1.00 0.00 C ATOM 169 O VAL A 11 -11.354 -9.799 1.998 1.00 0.00 O ATOM 170 CB VAL A 11 -10.704 -8.357 -0.750 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.587 -7.183 -1.702 1.00 0.00 C ATOM 172 CG2 VAL A 11 -9.523 -9.302 -0.903 1.00 0.00 C ATOM 0 H VAL A 11 -8.979 -8.619 1.339 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.234 -6.843 0.689 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.606 -8.916 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.502 -7.551 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.473 -6.554 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.702 -6.599 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.461 -9.643 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.603 -8.781 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.657 -10.161 -0.245 1.00 0.00 H new ATOM 319 N TRP A 20 -6.872 -11.072 0.640 1.00 0.00 N ATOM 320 CA TRP A 20 -5.978 -10.273 -0.187 1.00 0.00 C ATOM 321 C TRP A 20 -6.436 -10.241 -1.637 1.00 0.00 C ATOM 322 O TRP A 20 -7.112 -11.154 -2.112 1.00 0.00 O ATOM 323 CB TRP A 20 -4.554 -10.817 -0.124 1.00 0.00 C ATOM 324 CG TRP A 20 -4.028 -10.959 1.273 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.650 -12.113 1.896 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.822 -9.904 2.221 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.215 -11.840 3.170 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.313 -10.492 3.394 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.017 -8.520 2.191 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.996 -9.744 4.525 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.702 -7.779 3.314 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.196 -8.392 4.467 1.00 0.00 C ATOM 0 HA TRP A 20 -5.999 -9.257 0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.523 -11.789 -0.616 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.896 -10.155 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.687 -13.097 1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.874 -12.529 3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.407 -8.039 1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.606 -10.214 5.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.848 -6.709 3.302 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.959 -7.785 5.328 1.00 0.00 H new ATOM 343 N VAL A 21 -6.045 -9.184 -2.336 1.00 0.00 N ATOM 344 CA VAL A 21 -6.393 -9.021 -3.741 1.00 0.00 C ATOM 345 C VAL A 21 -5.380 -8.122 -4.444 1.00 0.00 C ATOM 346 O VAL A 21 -5.196 -6.967 -4.060 1.00 0.00 O ATOM 347 CB VAL A 21 -7.809 -8.431 -3.906 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.870 -7.004 -3.379 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.245 -8.488 -5.361 1.00 0.00 C ATOM 0 H VAL A 21 -5.484 -8.424 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.376 -10.010 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.499 -9.035 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.879 -6.612 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.609 -6.996 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.166 -6.382 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.246 -8.068 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.549 -7.913 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.253 -9.525 -5.698 1.00 0.00 H new ATOM 359 N LYS A 22 -4.715 -8.652 -5.466 1.00 0.00 N ATOM 360 CA LYS A 22 -3.718 -7.877 -6.192 1.00 0.00 C ATOM 361 C LYS A 22 -4.371 -6.795 -7.041 1.00 0.00 C ATOM 362 O LYS A 22 -4.996 -7.081 -8.061 1.00 0.00 O ATOM 363 CB LYS A 22 -2.878 -8.776 -7.106 1.00 0.00 C ATOM 364 CG LYS A 22 -1.440 -8.947 -6.652 1.00 0.00 C ATOM 365 CD LYS A 22 -0.707 -9.982 -7.497 1.00 0.00 C ATOM 366 CE LYS A 22 -0.800 -9.672 -8.989 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.770 -10.912 -9.814 1.00 0.00 N ATOM 0 H LYS A 22 -4.847 -9.604 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.074 -7.412 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.349 -9.757 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.883 -8.359 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.921 -7.991 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.421 -9.251 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.341 -10.017 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.126 -10.970 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.721 -9.124 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.027 -9.023 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.835 -10.661 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.120 -11.422 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.573 -11.520 -9.556 1.00 0.00 H new ATOM 381 N LYS A 23 -4.185 -5.550 -6.627 1.00 0.00 N ATOM 382 CA LYS A 23 -4.714 -4.413 -7.362 1.00 0.00 C ATOM 383 C LYS A 23 -3.552 -3.653 -7.975 1.00 0.00 C ATOM 384 O LYS A 23 -2.469 -3.599 -7.394 1.00 0.00 O ATOM 385 CB LYS A 23 -5.521 -3.490 -6.451 1.00 0.00 C ATOM 386 CG LYS A 23 -6.713 -4.168 -5.798 1.00 0.00 C ATOM 387 CD LYS A 23 -7.910 -4.202 -6.735 1.00 0.00 C ATOM 388 CE LYS A 23 -8.946 -5.215 -6.277 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.856 -4.651 -5.242 1.00 0.00 N ATOM 0 H LYS A 23 -3.669 -5.302 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.385 -4.773 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.866 -3.098 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.872 -2.637 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.444 -5.185 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.979 -3.639 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.364 -3.212 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.578 -4.450 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.532 -5.547 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.441 -6.094 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.547 -5.374 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.300 -4.358 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.357 -3.827 -5.632 1.00 0.00 H new ATOM 403 N TYR A 24 -3.759 -3.085 -9.150 1.00 0.00 N ATOM 404 CA TYR A 24 -2.688 -2.361 -9.810 1.00 0.00 C ATOM 405 C TYR A 24 -2.435 -1.013 -9.155 1.00 0.00 C ATOM 406 O TYR A 24 -3.154 -0.043 -9.394 1.00 0.00 O ATOM 407 CB TYR A 24 -2.969 -2.177 -11.298 1.00 0.00 C ATOM 408 CG TYR A 24 -1.709 -2.254 -12.129 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.557 -1.590 -11.726 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.663 -2.998 -13.300 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.605 -1.662 -12.467 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.502 -3.078 -14.046 1.00 0.00 C ATOM 413 CZ TYR A 24 0.629 -2.408 -13.626 1.00 0.00 C ATOM 414 OH TYR A 24 1.785 -2.484 -14.367 1.00 0.00 O ATOM 0 H TYR A 24 -4.642 -3.110 -9.659 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.788 -2.967 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.670 -2.942 -11.631 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.450 -1.212 -11.459 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.571 -1.007 -10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.547 -3.522 -13.633 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.491 -1.137 -12.141 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.480 -3.663 -14.954 1.00 0.00 H new ATOM 0 HH TYR A 24 1.633 -3.050 -15.153 1.00 0.00 H new ATOM 424 N VAL A 25 -1.389 -0.965 -8.340 1.00 0.00 N ATOM 425 CA VAL A 25 -1.007 0.258 -7.656 1.00 0.00 C ATOM 426 C VAL A 25 0.178 0.904 -8.357 1.00 0.00 C ATOM 427 O VAL A 25 1.156 0.231 -8.683 1.00 0.00 O ATOM 428 CB VAL A 25 -0.630 -0.006 -6.185 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.481 1.304 -5.429 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.666 -0.900 -5.519 1.00 0.00 C ATOM 0 H VAL A 25 -0.789 -1.765 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.869 0.925 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 25 0.329 -0.523 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.215 1.098 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.302 1.904 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.423 1.851 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.382 -1.075 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.641 -0.414 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.718 -1.852 -6.046 1.00 0.00 H new ATOM 440 N ILE A 26 0.089 2.204 -8.590 1.00 0.00 N ATOM 441 CA ILE A 26 1.165 2.925 -9.255 1.00 0.00 C ATOM 442 C ILE A 26 1.393 4.277 -8.596 1.00 0.00 C ATOM 443 O ILE A 26 0.525 5.150 -8.628 1.00 0.00 O ATOM 444 CB ILE A 26 0.860 3.124 -10.756 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.173 1.881 -11.329 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.137 3.424 -11.528 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.148 1.993 -12.804 1.00 0.00 C ATOM 0 H ILE A 26 -0.712 2.780 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 26 2.070 2.324 -9.161 1.00 0.00 H new ATOM 0 HB ILE A 26 0.187 3.975 -10.860 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.816 1.015 -11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.749 1.699 -10.778 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.901 3.561 -12.583 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.593 4.334 -11.137 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.833 2.593 -11.417 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.633 1.077 -13.141 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.816 2.839 -12.968 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.773 2.144 -13.366 1.00 0.00 H new ATOM 459 N VAL A 27 2.566 4.442 -7.994 1.00 0.00 N ATOM 460 CA VAL A 27 2.908 5.685 -7.320 1.00 0.00 C ATOM 461 C VAL A 27 3.540 6.677 -8.288 1.00 0.00 C ATOM 462 O VAL A 27 4.704 6.538 -8.659 1.00 0.00 O ATOM 463 CB VAL A 27 3.882 5.442 -6.152 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.055 6.709 -5.326 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.397 4.293 -5.281 1.00 0.00 C ATOM 0 H VAL A 27 3.295 3.729 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 27 1.978 6.098 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 27 4.853 5.170 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.747 6.517 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.453 7.504 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.090 7.015 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.098 4.137 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.414 4.533 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.331 3.385 -5.880 1.00 0.00 H new ATOM 475 N SER A 28 2.766 7.678 -8.690 1.00 0.00 N ATOM 476 CA SER A 28 3.254 8.694 -9.615 1.00 0.00 C ATOM 477 C SER A 28 4.077 9.746 -8.880 1.00 0.00 C ATOM 478 O SER A 28 4.009 9.859 -7.655 1.00 0.00 O ATOM 479 CB SER A 28 2.083 9.361 -10.340 1.00 0.00 C ATOM 480 OG SER A 28 2.516 10.487 -11.083 1.00 0.00 O ATOM 0 H SER A 28 1.800 7.808 -8.391 1.00 0.00 H new ATOM 0 HA SER A 28 3.894 8.204 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.608 8.642 -11.008 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.330 9.668 -9.614 1.00 0.00 H new ATOM 0 HG SER A 28 1.749 10.894 -11.538 1.00 0.00 H new ATOM 486 N SER A 29 4.855 10.516 -9.633 1.00 0.00 N ATOM 487 CA SER A 29 5.692 11.562 -9.052 1.00 0.00 C ATOM 488 C SER A 29 4.881 12.467 -8.129 1.00 0.00 C ATOM 489 O SER A 29 4.058 13.260 -8.587 1.00 0.00 O ATOM 490 CB SER A 29 6.343 12.395 -10.158 1.00 0.00 C ATOM 491 OG SER A 29 7.355 13.236 -9.634 1.00 0.00 O ATOM 0 H SER A 29 4.924 10.436 -10.648 1.00 0.00 H new ATOM 0 HA SER A 29 6.470 11.079 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.770 11.734 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.585 13.000 -10.656 1.00 0.00 H new ATOM 0 HG SER A 29 7.757 13.756 -10.361 1.00 0.00 H new ATOM 497 N LYS A 30 5.119 12.342 -6.827 1.00 0.00 N ATOM 498 CA LYS A 30 4.414 13.146 -5.834 1.00 0.00 C ATOM 499 C LYS A 30 2.919 12.840 -5.839 1.00 0.00 C ATOM 500 O LYS A 30 2.100 13.697 -5.505 1.00 0.00 O ATOM 501 CB LYS A 30 4.640 14.637 -6.099 1.00 0.00 C ATOM 502 CG LYS A 30 6.104 15.043 -6.082 1.00 0.00 C ATOM 503 CD LYS A 30 6.512 15.604 -4.728 1.00 0.00 C ATOM 504 CE LYS A 30 7.471 16.774 -4.874 1.00 0.00 C ATOM 505 NZ LYS A 30 6.785 18.082 -4.690 1.00 0.00 N ATOM 0 H LYS A 30 5.797 11.689 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 30 4.814 12.891 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.212 14.894 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.102 15.216 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.725 14.180 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.285 15.789 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.624 15.926 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.982 14.819 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.273 16.679 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.934 16.743 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.474 18.854 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.036 18.185 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.365 18.123 -3.740 1.00 0.00 H new ATOM 519 N LYS A 31 2.568 11.615 -6.219 1.00 0.00 N ATOM 520 CA LYS A 31 1.169 11.202 -6.262 1.00 0.00 C ATOM 521 C LYS A 31 1.044 9.682 -6.210 1.00 0.00 C ATOM 522 O LYS A 31 1.957 8.959 -6.608 1.00 0.00 O ATOM 523 CB LYS A 31 0.499 11.737 -7.530 1.00 0.00 C ATOM 524 CG LYS A 31 -1.018 11.655 -7.499 1.00 0.00 C ATOM 525 CD LYS A 31 -1.614 12.718 -6.589 1.00 0.00 C ATOM 526 CE LYS A 31 -1.986 13.970 -7.366 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.021 15.176 -6.494 1.00 0.00 N ATOM 0 H LYS A 31 3.231 10.893 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 31 0.667 11.617 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.795 12.776 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.867 11.176 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.411 11.776 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.323 10.667 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.499 12.320 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.898 12.973 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.267 14.125 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.961 13.831 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.682 15.873 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.336 14.906 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.070 15.593 -6.439 1.00 0.00 H new ATOM 541 N ILE A 32 -0.095 9.204 -5.718 1.00 0.00 N ATOM 542 CA ILE A 32 -0.343 7.771 -5.617 1.00 0.00 C ATOM 543 C ILE A 32 -1.627 7.389 -6.345 1.00 0.00 C ATOM 544 O ILE A 32 -2.690 7.956 -6.085 1.00 0.00 O ATOM 545 CB ILE A 32 -0.441 7.316 -4.148 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.716 7.897 -3.332 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.448 5.797 -4.061 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.690 7.493 -1.875 1.00 0.00 C ATOM 0 H ILE A 32 -0.861 9.789 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 32 0.503 7.268 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.377 7.688 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.659 7.575 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.688 8.985 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.518 5.493 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.304 5.405 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.472 5.404 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.539 7.941 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.237 7.839 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.750 6.407 -1.797 1.00 0.00 H new ATOM 560 N LEU A 33 -1.524 6.432 -7.261 1.00 0.00 N ATOM 561 CA LEU A 33 -2.680 5.983 -8.029 1.00 0.00 C ATOM 562 C LEU A 33 -3.025 4.531 -7.712 1.00 0.00 C ATOM 563 O LEU A 33 -2.150 3.730 -7.382 1.00 0.00 O ATOM 564 CB LEU A 33 -2.412 6.140 -9.527 1.00 0.00 C ATOM 565 CG LEU A 33 -2.038 7.554 -9.974 1.00 0.00 C ATOM 566 CD1 LEU A 33 -1.060 7.506 -11.138 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.285 8.338 -10.356 1.00 0.00 C ATOM 0 H LEU A 33 -0.653 5.953 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.531 6.604 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.607 5.461 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.301 5.826 -10.074 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.553 8.062 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.806 8.521 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.155 6.982 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.517 6.980 -11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.001 9.342 -10.672 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.797 7.831 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.952 8.403 -9.496 1.00 0.00 H new ATOM 579 N PHE A 34 -4.309 4.203 -7.820 1.00 0.00 N ATOM 580 CA PHE A 34 -4.783 2.849 -7.551 1.00 0.00 C ATOM 581 C PHE A 34 -5.743 2.391 -8.644 1.00 0.00 C ATOM 582 O PHE A 34 -6.679 3.106 -9.000 1.00 0.00 O ATOM 583 CB PHE A 34 -5.477 2.790 -6.189 1.00 0.00 C ATOM 584 CG PHE A 34 -4.660 2.118 -5.122 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.746 0.750 -4.922 1.00 0.00 C ATOM 586 CD2 PHE A 34 -3.808 2.858 -4.317 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.999 0.132 -3.938 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.058 2.245 -3.331 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.153 0.880 -3.142 1.00 0.00 C ATOM 0 H PHE A 34 -5.042 4.858 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.922 2.181 -7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.714 3.804 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.424 2.261 -6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.404 0.160 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.729 3.925 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.076 -0.935 -3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.399 2.832 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.567 0.398 -2.373 1.00 0.00 H new ATOM 599 N TYR A 35 -5.506 1.195 -9.171 1.00 0.00 N ATOM 600 CA TYR A 35 -6.352 0.646 -10.224 1.00 0.00 C ATOM 601 C TYR A 35 -6.655 -0.826 -9.969 1.00 0.00 C ATOM 602 O TYR A 35 -6.031 -1.461 -9.118 1.00 0.00 O ATOM 603 CB TYR A 35 -5.675 0.810 -11.587 1.00 0.00 C ATOM 604 CG TYR A 35 -5.326 2.242 -11.923 1.00 0.00 C ATOM 605 CD1 TYR A 35 -6.239 3.067 -12.567 1.00 0.00 C ATOM 606 CD2 TYR A 35 -4.083 2.767 -11.594 1.00 0.00 C ATOM 607 CE1 TYR A 35 -5.923 4.376 -12.876 1.00 0.00 C ATOM 608 CE2 TYR A 35 -3.759 4.076 -11.898 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.683 4.876 -12.538 1.00 0.00 C ATOM 610 OH TYR A 35 -4.364 6.179 -12.844 1.00 0.00 O ATOM 0 H TYR A 35 -4.737 0.588 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.293 1.196 -10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.765 0.210 -11.606 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.334 0.415 -12.360 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.212 2.679 -12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.358 2.143 -11.093 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.643 5.004 -13.379 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.788 4.470 -11.636 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.080 6.772 -12.535 1.00 0.00 H new ATOM 620 N ASP A 36 -7.614 -1.364 -10.714 1.00 0.00 N ATOM 621 CA ASP A 36 -8.002 -2.762 -10.572 1.00 0.00 C ATOM 622 C ASP A 36 -7.532 -3.585 -11.769 1.00 0.00 C ATOM 623 O ASP A 36 -7.400 -4.807 -11.679 1.00 0.00 O ATOM 624 CB ASP A 36 -9.520 -2.879 -10.424 1.00 0.00 C ATOM 625 CG ASP A 36 -10.047 -2.099 -9.235 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.401 -1.105 -8.843 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.104 -2.485 -8.695 1.00 0.00 O ATOM 0 H ASP A 36 -8.138 -0.852 -11.424 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.524 -3.155 -9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.000 -2.518 -11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.792 -3.929 -10.316 1.00 0.00 H new ATOM 632 N SER A 37 -7.282 -2.912 -12.888 1.00 0.00 N ATOM 633 CA SER A 37 -6.827 -3.585 -14.099 1.00 0.00 C ATOM 634 C SER A 37 -6.311 -2.578 -15.123 1.00 0.00 C ATOM 635 O SER A 37 -6.445 -1.368 -14.938 1.00 0.00 O ATOM 636 CB SER A 37 -7.964 -4.409 -14.706 1.00 0.00 C ATOM 637 OG SER A 37 -8.169 -5.608 -13.980 1.00 0.00 O ATOM 0 H SER A 37 -7.387 -1.902 -12.981 1.00 0.00 H new ATOM 0 HA SER A 37 -6.008 -4.251 -13.828 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.882 -3.821 -14.709 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.732 -4.644 -15.745 1.00 0.00 H new ATOM 0 HG SER A 37 -7.600 -5.609 -13.182 1.00 0.00 H new ATOM 643 N GLU A 38 -5.721 -3.085 -16.200 1.00 0.00 N ATOM 644 CA GLU A 38 -5.187 -2.229 -17.252 1.00 0.00 C ATOM 645 C GLU A 38 -6.311 -1.535 -18.014 1.00 0.00 C ATOM 646 O GLU A 38 -6.178 -0.381 -18.425 1.00 0.00 O ATOM 647 CB GLU A 38 -4.330 -3.049 -18.218 1.00 0.00 C ATOM 648 CG GLU A 38 -2.993 -3.476 -17.634 1.00 0.00 C ATOM 649 CD GLU A 38 -2.947 -4.956 -17.304 1.00 0.00 C ATOM 650 OE1 GLU A 38 -3.998 -5.512 -16.921 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.861 -5.557 -17.429 1.00 0.00 O ATOM 0 H GLU A 38 -5.601 -4.084 -16.367 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.566 -1.465 -16.784 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.886 -3.937 -18.519 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.152 -2.463 -19.120 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.199 -3.241 -18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.795 -2.900 -16.730 1.00 0.00 H new ATOM 658 N GLN A 39 -7.419 -2.246 -18.202 1.00 0.00 N ATOM 659 CA GLN A 39 -8.568 -1.699 -18.915 1.00 0.00 C ATOM 660 C GLN A 39 -9.090 -0.444 -18.224 1.00 0.00 C ATOM 661 O GLN A 39 -9.545 0.496 -18.878 1.00 0.00 O ATOM 662 CB GLN A 39 -9.680 -2.742 -19.010 1.00 0.00 C ATOM 663 CG GLN A 39 -9.278 -3.993 -19.773 1.00 0.00 C ATOM 664 CD GLN A 39 -9.833 -5.260 -19.152 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.770 -5.864 -19.676 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.257 -5.669 -18.028 1.00 0.00 N ATOM 0 H GLN A 39 -7.545 -3.202 -17.870 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.245 -1.431 -19.921 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.989 -3.024 -18.003 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.547 -2.293 -19.495 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.628 -3.914 -20.802 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.191 -4.057 -19.810 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.483 -5.138 -17.629 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.588 -6.515 -17.564 1.00 0.00 H new ATOM 675 N ASP A 40 -9.022 -0.433 -16.898 1.00 0.00 N ATOM 676 CA ASP A 40 -9.488 0.707 -16.116 1.00 0.00 C ATOM 677 C ASP A 40 -8.461 1.834 -16.131 1.00 0.00 C ATOM 678 O ASP A 40 -8.814 3.012 -16.074 1.00 0.00 O ATOM 679 CB ASP A 40 -9.776 0.283 -14.676 1.00 0.00 C ATOM 680 CG ASP A 40 -11.199 -0.204 -14.490 1.00 0.00 C ATOM 681 OD1 ASP A 40 -12.131 0.614 -14.639 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.383 -1.404 -14.195 1.00 0.00 O ATOM 0 H ASP A 40 -8.648 -1.201 -16.341 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.409 1.073 -16.570 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.084 -0.508 -14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.593 1.125 -14.009 1.00 0.00 H new ATOM 687 N LYS A 41 -7.186 1.466 -16.209 1.00 0.00 N ATOM 688 CA LYS A 41 -6.105 2.445 -16.231 1.00 0.00 C ATOM 689 C LYS A 41 -6.099 3.216 -17.548 1.00 0.00 C ATOM 690 O LYS A 41 -6.032 4.445 -17.558 1.00 0.00 O ATOM 691 CB LYS A 41 -4.757 1.753 -16.022 1.00 0.00 C ATOM 692 CG LYS A 41 -3.827 2.508 -15.087 1.00 0.00 C ATOM 693 CD LYS A 41 -3.196 3.709 -15.775 1.00 0.00 C ATOM 694 CE LYS A 41 -1.765 3.422 -16.205 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.654 3.234 -17.677 1.00 0.00 N ATOM 0 H LYS A 41 -6.876 0.496 -16.258 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.270 3.152 -15.418 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.929 0.754 -15.622 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.267 1.630 -16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.383 2.841 -14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.044 1.838 -14.733 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.790 3.983 -16.647 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.209 4.564 -15.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.121 4.245 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.406 2.527 -15.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.664 3.041 -17.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.249 2.433 -17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.972 4.097 -18.162 1.00 0.00 H new ATOM 709 N GLU A 42 -6.167 2.486 -18.656 1.00 0.00 N ATOM 710 CA GLU A 42 -6.170 3.100 -19.978 1.00 0.00 C ATOM 711 C GLU A 42 -7.401 3.981 -20.170 1.00 0.00 C ATOM 712 O GLU A 42 -7.377 4.934 -20.949 1.00 0.00 O ATOM 713 CB GLU A 42 -6.126 2.024 -21.064 1.00 0.00 C ATOM 714 CG GLU A 42 -7.219 0.976 -20.927 1.00 0.00 C ATOM 715 CD GLU A 42 -7.894 0.662 -22.247 1.00 0.00 C ATOM 716 OE1 GLU A 42 -8.426 1.599 -22.879 1.00 0.00 O ATOM 717 OE2 GLU A 42 -7.894 -0.521 -22.648 1.00 0.00 O ATOM 0 H GLU A 42 -6.221 1.467 -18.664 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.282 3.727 -20.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.212 2.501 -22.040 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.155 1.530 -21.035 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.791 0.062 -20.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.966 1.327 -20.215 1.00 0.00 H new ATOM 724 N GLN A 43 -8.475 3.658 -19.456 1.00 0.00 N ATOM 725 CA GLN A 43 -9.714 4.424 -19.551 1.00 0.00 C ATOM 726 C GLN A 43 -9.741 5.569 -18.538 1.00 0.00 C ATOM 727 O GLN A 43 -10.775 6.204 -18.338 1.00 0.00 O ATOM 728 CB GLN A 43 -10.919 3.506 -19.330 1.00 0.00 C ATOM 729 CG GLN A 43 -11.572 3.038 -20.622 1.00 0.00 C ATOM 730 CD GLN A 43 -12.240 4.168 -21.378 1.00 0.00 C ATOM 731 OE1 GLN A 43 -11.988 4.370 -22.566 1.00 0.00 O ATOM 732 NE2 GLN A 43 -13.101 4.911 -20.693 1.00 0.00 N ATOM 0 H GLN A 43 -8.513 2.873 -18.806 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.764 4.855 -20.551 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.602 2.635 -18.757 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.660 4.031 -18.728 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.818 2.575 -21.259 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.312 2.271 -20.394 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.280 4.708 -19.710 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.584 5.685 -21.150 1.00 0.00 H new ATOM 741 N SER A 44 -8.600 5.833 -17.903 1.00 0.00 N ATOM 742 CA SER A 44 -8.504 6.905 -16.918 1.00 0.00 C ATOM 743 C SER A 44 -9.514 6.704 -15.792 1.00 0.00 C ATOM 744 O SER A 44 -10.183 7.646 -15.367 1.00 0.00 O ATOM 745 CB SER A 44 -8.730 8.261 -17.588 1.00 0.00 C ATOM 746 OG SER A 44 -7.911 9.261 -17.006 1.00 0.00 O ATOM 0 H SER A 44 -7.732 5.319 -18.054 1.00 0.00 H new ATOM 0 HA SER A 44 -7.502 6.882 -16.489 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.514 8.184 -18.654 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.778 8.546 -17.495 1.00 0.00 H new ATOM 0 HG SER A 44 -8.073 10.118 -17.453 1.00 0.00 H new ATOM 752 N ASN A 45 -9.618 5.469 -15.311 1.00 0.00 N ATOM 753 CA ASN A 45 -10.547 5.145 -14.233 1.00 0.00 C ATOM 754 C ASN A 45 -9.792 4.695 -12.982 1.00 0.00 C ATOM 755 O ASN A 45 -9.721 3.503 -12.683 1.00 0.00 O ATOM 756 CB ASN A 45 -11.521 4.054 -14.683 1.00 0.00 C ATOM 757 CG ASN A 45 -12.965 4.416 -14.397 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.555 3.944 -13.427 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.542 5.260 -15.246 1.00 0.00 N ATOM 0 H ASN A 45 -9.072 4.677 -15.650 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.112 6.044 -13.987 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.398 3.879 -15.752 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.276 3.120 -14.177 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.513 5.541 -15.106 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.014 5.627 -16.038 1.00 0.00 H new ATOM 766 N PRO A 46 -9.218 5.649 -12.231 1.00 0.00 N ATOM 767 CA PRO A 46 -8.468 5.348 -11.008 1.00 0.00 C ATOM 768 C PRO A 46 -9.378 4.944 -9.853 1.00 0.00 C ATOM 769 O PRO A 46 -10.138 5.762 -9.335 1.00 0.00 O ATOM 770 CB PRO A 46 -7.760 6.667 -10.695 1.00 0.00 C ATOM 771 CG PRO A 46 -8.640 7.714 -11.285 1.00 0.00 C ATOM 772 CD PRO A 46 -9.254 7.098 -12.514 1.00 0.00 C ATOM 0 HA PRO A 46 -7.790 4.505 -11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.641 6.808 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.762 6.695 -11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.410 8.021 -10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.068 8.606 -11.540 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -10.273 7.450 -12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.688 7.345 -13.412 1.00 0.00 H new ATOM 780 N TYR A 47 -9.292 3.680 -9.450 1.00 0.00 N ATOM 781 CA TYR A 47 -10.107 3.171 -8.352 1.00 0.00 C ATOM 782 C TYR A 47 -9.861 3.976 -7.080 1.00 0.00 C ATOM 783 O TYR A 47 -10.769 4.179 -6.275 1.00 0.00 O ATOM 784 CB TYR A 47 -9.800 1.693 -8.104 1.00 0.00 C ATOM 785 CG TYR A 47 -10.685 1.057 -7.057 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.037 0.842 -7.299 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.169 0.668 -5.826 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.848 0.261 -6.345 1.00 0.00 C ATOM 789 CE2 TYR A 47 -10.976 0.086 -4.867 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.314 -0.115 -5.130 1.00 0.00 C ATOM 791 OH TYR A 47 -13.121 -0.695 -4.178 1.00 0.00 O ATOM 0 H TYR A 47 -8.667 2.990 -9.867 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.156 3.273 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.909 1.146 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.759 1.594 -7.796 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.460 1.134 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.121 0.823 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.896 0.101 -6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.560 -0.210 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.590 -0.901 -3.381 1.00 0.00 H new ATOM 801 N MET A 48 -8.624 4.431 -6.910 1.00 0.00 N ATOM 802 CA MET A 48 -8.251 5.218 -5.741 1.00 0.00 C ATOM 803 C MET A 48 -6.999 6.040 -6.024 1.00 0.00 C ATOM 804 O MET A 48 -6.203 5.694 -6.896 1.00 0.00 O ATOM 805 CB MET A 48 -8.020 4.304 -4.535 1.00 0.00 C ATOM 806 CG MET A 48 -8.604 4.845 -3.241 1.00 0.00 C ATOM 807 SD MET A 48 -8.164 3.843 -1.807 1.00 0.00 S ATOM 808 CE MET A 48 -6.378 3.978 -1.835 1.00 0.00 C ATOM 0 H MET A 48 -7.862 4.268 -7.568 1.00 0.00 H new ATOM 0 HA MET A 48 -9.069 5.901 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.458 3.327 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.949 4.152 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.253 5.866 -3.088 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.690 4.891 -3.328 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.015 4.208 -0.833 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.947 3.034 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.084 4.774 -2.519 1.00 0.00 H new ATOM 818 N VAL A 49 -6.830 7.133 -5.286 1.00 0.00 N ATOM 819 CA VAL A 49 -5.672 8.000 -5.466 1.00 0.00 C ATOM 820 C VAL A 49 -5.302 8.704 -4.165 1.00 0.00 C ATOM 821 O VAL A 49 -6.145 9.333 -3.526 1.00 0.00 O ATOM 822 CB VAL A 49 -5.928 9.054 -6.562 1.00 0.00 C ATOM 823 CG1 VAL A 49 -7.091 9.955 -6.182 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.670 9.872 -6.824 1.00 0.00 C ATOM 0 H VAL A 49 -7.478 7.438 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.842 7.364 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.192 8.533 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.254 10.691 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.991 9.353 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.864 10.468 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.871 10.610 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.370 10.381 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.868 9.211 -7.151 1.00 0.00 H new ATOM 834 N LEU A 50 -4.034 8.598 -3.782 1.00 0.00 N ATOM 835 CA LEU A 50 -3.548 9.228 -2.560 1.00 0.00 C ATOM 836 C LEU A 50 -2.407 10.190 -2.866 1.00 0.00 C ATOM 837 O LEU A 50 -1.708 10.042 -3.867 1.00 0.00 O ATOM 838 CB LEU A 50 -3.080 8.165 -1.562 1.00 0.00 C ATOM 839 CG LEU A 50 -3.955 6.910 -1.491 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.213 5.707 -2.051 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.396 6.645 -0.058 1.00 0.00 C ATOM 0 H LEU A 50 -3.324 8.081 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.370 9.792 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.064 7.867 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.036 8.615 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.844 7.078 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.852 4.826 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.949 5.894 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.305 5.537 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.017 5.749 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.518 6.499 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.969 7.496 0.310 1.00 0.00 H new ATOM 853 N ASP A 51 -2.223 11.178 -1.997 1.00 0.00 N ATOM 854 CA ASP A 51 -1.165 12.166 -2.177 1.00 0.00 C ATOM 855 C ASP A 51 0.076 11.786 -1.374 1.00 0.00 C ATOM 856 O ASP A 51 0.016 11.641 -0.153 1.00 0.00 O ATOM 857 CB ASP A 51 -1.655 13.552 -1.754 1.00 0.00 C ATOM 858 CG ASP A 51 -2.940 13.947 -2.453 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.018 13.785 -3.689 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.868 14.421 -1.765 1.00 0.00 O ATOM 0 H ASP A 51 -2.792 11.316 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.900 12.189 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.812 13.566 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.883 14.290 -1.973 1.00 0.00 H new ATOM 865 N ILE A 52 1.198 11.627 -2.068 1.00 0.00 N ATOM 866 CA ILE A 52 2.454 11.265 -1.420 1.00 0.00 C ATOM 867 C ILE A 52 2.825 12.278 -0.341 1.00 0.00 C ATOM 868 O ILE A 52 3.321 11.913 0.724 1.00 0.00 O ATOM 869 CB ILE A 52 3.605 11.165 -2.440 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.240 10.184 -3.557 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.894 10.737 -1.751 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.368 9.925 -4.534 1.00 0.00 C ATOM 0 H ILE A 52 1.264 11.743 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 52 2.305 10.288 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 52 3.764 12.149 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.933 9.238 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.381 10.573 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.696 10.672 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.160 11.470 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.751 9.763 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.035 9.221 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.661 10.862 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.222 9.506 -4.001 1.00 0.00 H new ATOM 884 N ASP A 53 2.584 13.552 -0.628 1.00 0.00 N ATOM 885 CA ASP A 53 2.893 14.621 0.316 1.00 0.00 C ATOM 886 C ASP A 53 2.026 14.516 1.568 1.00 0.00 C ATOM 887 O ASP A 53 2.403 14.998 2.636 1.00 0.00 O ATOM 888 CB ASP A 53 2.695 15.984 -0.351 1.00 0.00 C ATOM 889 CG ASP A 53 2.985 17.140 0.588 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.694 16.925 1.593 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.504 18.260 0.316 1.00 0.00 O ATOM 0 H ASP A 53 2.176 13.871 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 53 3.936 14.519 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.346 16.056 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.670 16.062 -0.712 1.00 0.00 H new ATOM 896 N LYS A 54 0.863 13.885 1.431 1.00 0.00 N ATOM 897 CA LYS A 54 -0.052 13.721 2.556 1.00 0.00 C ATOM 898 C LYS A 54 0.423 12.617 3.497 1.00 0.00 C ATOM 899 O LYS A 54 0.078 12.607 4.679 1.00 0.00 O ATOM 900 CB LYS A 54 -1.463 13.405 2.054 1.00 0.00 C ATOM 901 CG LYS A 54 -2.310 14.641 1.797 1.00 0.00 C ATOM 902 CD LYS A 54 -3.751 14.430 2.234 1.00 0.00 C ATOM 903 CE LYS A 54 -4.657 15.547 1.737 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.744 15.032 0.860 1.00 0.00 N ATOM 0 H LYS A 54 0.533 13.480 0.555 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.071 14.660 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.391 12.827 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.968 12.775 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.887 15.491 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.283 14.888 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.110 13.473 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.798 14.379 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.094 16.066 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.064 16.278 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.468 15.768 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.349 14.774 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.175 14.193 1.298 1.00 0.00 H new ATOM 918 N LEU A 55 1.213 11.685 2.969 1.00 0.00 N ATOM 919 CA LEU A 55 1.730 10.578 3.769 1.00 0.00 C ATOM 920 C LEU A 55 2.424 11.089 5.028 1.00 0.00 C ATOM 921 O LEU A 55 3.142 12.089 4.989 1.00 0.00 O ATOM 922 CB LEU A 55 2.708 9.734 2.949 1.00 0.00 C ATOM 923 CG LEU A 55 2.177 9.240 1.601 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.167 8.281 0.960 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.822 8.571 1.770 1.00 0.00 C ATOM 0 H LEU A 55 1.508 11.674 1.993 1.00 0.00 H new ATOM 0 HA LEU A 55 0.883 9.959 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.609 10.321 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.003 8.869 3.544 1.00 0.00 H new ATOM 0 HG LEU A 55 2.054 10.101 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.774 7.939 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.117 8.791 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.320 7.424 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.462 8.227 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.918 7.720 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.113 9.286 2.187 1.00 0.00 H new ATOM 937 N PHE A 56 2.206 10.396 6.140 1.00 0.00 N ATOM 938 CA PHE A 56 2.812 10.779 7.409 1.00 0.00 C ATOM 939 C PHE A 56 4.041 9.925 7.701 1.00 0.00 C ATOM 940 O PHE A 56 5.026 10.407 8.261 1.00 0.00 O ATOM 941 CB PHE A 56 1.799 10.639 8.545 1.00 0.00 C ATOM 942 CG PHE A 56 0.816 11.772 8.614 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.237 13.054 8.928 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.529 11.555 8.364 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.335 14.099 8.992 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.436 12.596 8.427 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.004 13.869 8.741 1.00 0.00 C ATOM 0 H PHE A 56 1.614 9.567 6.188 1.00 0.00 H new ATOM 0 HA PHE A 56 3.123 11.821 7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.254 9.703 8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.334 10.574 9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.283 13.239 9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.873 10.561 8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.676 15.094 9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.482 12.414 8.231 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.711 14.684 8.790 1.00 0.00 H new ATOM 957 N HIS A 57 3.976 8.655 7.316 1.00 0.00 N ATOM 958 CA HIS A 57 5.085 7.734 7.536 1.00 0.00 C ATOM 959 C HIS A 57 4.771 6.353 6.965 1.00 0.00 C ATOM 960 O HIS A 57 3.672 5.831 7.145 1.00 0.00 O ATOM 961 CB HIS A 57 5.395 7.623 9.032 1.00 0.00 C ATOM 962 CG HIS A 57 6.710 8.226 9.417 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.881 7.982 8.729 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.037 9.069 10.425 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.870 8.648 9.298 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.385 9.313 10.329 1.00 0.00 N ATOM 0 H HIS A 57 3.168 8.240 6.851 1.00 0.00 H new ATOM 0 HA HIS A 57 5.959 8.129 7.019 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.601 8.112 9.596 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.389 6.571 9.319 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.364 9.474 11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.900 8.648 8.974 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.924 9.912 10.954 1.00 0.00 H new ATOM 975 N VAL A 58 5.749 5.768 6.282 1.00 0.00 N ATOM 976 CA VAL A 58 5.586 4.445 5.689 1.00 0.00 C ATOM 977 C VAL A 58 6.562 3.451 6.308 1.00 0.00 C ATOM 978 O VAL A 58 7.777 3.630 6.229 1.00 0.00 O ATOM 979 CB VAL A 58 5.802 4.478 4.165 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.389 3.154 3.539 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.039 5.637 3.538 1.00 0.00 C ATOM 0 H VAL A 58 6.664 6.190 6.125 1.00 0.00 H new ATOM 0 HA VAL A 58 4.563 4.128 5.892 1.00 0.00 H new ATOM 0 HB VAL A 58 6.864 4.630 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.549 3.196 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.988 2.348 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.334 2.968 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.205 5.642 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.974 5.523 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.391 6.577 3.964 1.00 0.00 H new ATOM 991 N ARG A 59 6.025 2.405 6.930 1.00 0.00 N ATOM 992 CA ARG A 59 6.858 1.389 7.566 1.00 0.00 C ATOM 993 C ARG A 59 6.212 0.010 7.468 1.00 0.00 C ATOM 994 O ARG A 59 4.992 -0.108 7.354 1.00 0.00 O ATOM 995 CB ARG A 59 7.099 1.746 9.035 1.00 0.00 C ATOM 996 CG ARG A 59 7.805 3.078 9.232 1.00 0.00 C ATOM 997 CD ARG A 59 9.269 2.999 8.830 1.00 0.00 C ATOM 998 NE ARG A 59 10.101 3.907 9.614 1.00 0.00 N ATOM 999 CZ ARG A 59 10.320 3.772 10.921 1.00 0.00 C ATOM 1000 NH1 ARG A 59 9.773 2.765 11.591 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.088 4.645 11.558 1.00 0.00 N ATOM 0 H ARG A 59 5.022 2.239 7.007 1.00 0.00 H new ATOM 0 HA ARG A 59 7.813 1.360 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.142 1.772 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.693 0.958 9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.306 3.846 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.729 3.380 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.626 1.977 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.368 3.239 7.771 1.00 0.00 H new ATOM 0 HE ARG A 59 10.541 4.691 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.182 2.090 11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.944 2.666 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.511 5.420 11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.256 4.542 12.559 1.00 0.00 H new ATOM 1015 N PRO A 60 7.029 -1.060 7.516 1.00 0.00 N ATOM 1016 CA PRO A 60 6.531 -2.437 7.435 1.00 0.00 C ATOM 1017 C PRO A 60 5.615 -2.788 8.603 1.00 0.00 C ATOM 1018 O PRO A 60 5.698 -2.184 9.672 1.00 0.00 O ATOM 1019 CB PRO A 60 7.806 -3.289 7.483 1.00 0.00 C ATOM 1020 CG PRO A 60 8.839 -2.404 8.091 1.00 0.00 C ATOM 1021 CD PRO A 60 8.493 -1.011 7.654 1.00 0.00 C ATOM 0 HA PRO A 60 5.932 -2.598 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.657 -4.189 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.102 -3.613 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.833 -2.486 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.838 -2.682 7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.804 -0.269 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.978 -0.751 6.713 1.00 0.00 H new ATOM 1029 N VAL A 61 4.743 -3.768 8.392 1.00 0.00 N ATOM 1030 CA VAL A 61 3.813 -4.196 9.429 1.00 0.00 C ATOM 1031 C VAL A 61 4.370 -5.383 10.210 1.00 0.00 C ATOM 1032 O VAL A 61 5.431 -5.912 9.880 1.00 0.00 O ATOM 1033 CB VAL A 61 2.441 -4.581 8.836 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.819 -3.394 8.115 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.568 -5.776 7.902 1.00 0.00 C ATOM 0 H VAL A 61 4.661 -4.280 7.514 1.00 0.00 H new ATOM 0 HA VAL A 61 3.681 -3.350 10.103 1.00 0.00 H new ATOM 0 HB VAL A 61 1.783 -4.866 9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.852 -3.684 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.682 -2.572 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.476 -3.074 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.588 -6.027 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.245 -5.529 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.962 -6.629 8.454 1.00 0.00 H new ATOM 1045 N THR A 62 3.647 -5.795 11.247 1.00 0.00 N ATOM 1046 CA THR A 62 4.071 -6.921 12.073 1.00 0.00 C ATOM 1047 C THR A 62 2.926 -7.907 12.276 1.00 0.00 C ATOM 1048 O THR A 62 1.838 -7.732 11.727 1.00 0.00 O ATOM 1049 CB THR A 62 4.580 -6.422 13.428 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.597 -5.635 14.076 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.838 -5.588 13.325 1.00 0.00 C ATOM 0 H THR A 62 2.767 -5.367 11.535 1.00 0.00 H new ATOM 0 HA THR A 62 4.881 -7.436 11.556 1.00 0.00 H new ATOM 0 HB THR A 62 4.805 -7.323 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.942 -5.328 14.940 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.144 -5.267 14.321 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.633 -6.183 12.875 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.644 -4.713 12.705 1.00 0.00 H new ATOM 1059 N GLN A 63 3.178 -8.945 13.067 1.00 0.00 N ATOM 1060 CA GLN A 63 2.168 -9.962 13.340 1.00 0.00 C ATOM 1061 C GLN A 63 0.922 -9.349 13.975 1.00 0.00 C ATOM 1062 O GLN A 63 -0.158 -9.937 13.932 1.00 0.00 O ATOM 1063 CB GLN A 63 2.739 -11.044 14.258 1.00 0.00 C ATOM 1064 CG GLN A 63 1.930 -12.330 14.258 1.00 0.00 C ATOM 1065 CD GLN A 63 2.258 -13.225 13.079 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.318 -13.850 13.034 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.348 -13.291 12.114 1.00 0.00 N ATOM 0 H GLN A 63 4.073 -9.104 13.530 1.00 0.00 H new ATOM 0 HA GLN A 63 1.882 -10.411 12.389 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.761 -11.267 13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.789 -10.656 15.275 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.117 -12.873 15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.868 -12.087 14.240 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.483 -12.756 12.191 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.514 -13.876 11.295 1.00 0.00 H new ATOM 1076 N THR A 64 1.077 -8.169 14.569 1.00 0.00 N ATOM 1077 CA THR A 64 -0.042 -7.488 15.211 1.00 0.00 C ATOM 1078 C THR A 64 -1.008 -6.919 14.175 1.00 0.00 C ATOM 1079 O THR A 64 -2.193 -6.732 14.455 1.00 0.00 O ATOM 1080 CB THR A 64 0.466 -6.365 16.124 1.00 0.00 C ATOM 1081 OG1 THR A 64 0.688 -5.174 15.387 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.753 -6.708 16.842 1.00 0.00 C ATOM 0 H THR A 64 1.963 -7.666 14.619 1.00 0.00 H new ATOM 0 HA THR A 64 -0.577 -8.222 15.813 1.00 0.00 H new ATOM 0 HB THR A 64 -0.319 -6.227 16.868 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.576 -5.206 14.973 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.054 -5.869 17.470 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.599 -7.590 17.464 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.535 -6.912 16.110 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.497 -6.641 12.979 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.319 -6.088 11.908 1.00 0.00 C ATOM 1092 C ASP A 65 -2.401 -7.074 11.479 1.00 0.00 C ATOM 1093 O ASP A 65 -3.520 -6.678 11.154 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.445 -5.719 10.707 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.995 -4.536 9.935 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.841 -4.751 9.043 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.577 -3.394 10.223 1.00 0.00 O ATOM 0 H ASP A 65 0.480 -6.789 12.728 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.806 -5.190 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.563 -5.488 11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.365 -6.578 10.041 1.00 0.00 H new ATOM 1102 N VAL A 66 -2.062 -8.359 11.479 1.00 0.00 N ATOM 1103 CA VAL A 66 -3.008 -9.397 11.087 1.00 0.00 C ATOM 1104 C VAL A 66 -2.781 -10.680 11.877 1.00 0.00 C ATOM 1105 O VAL A 66 -1.662 -10.978 12.290 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.919 -9.715 9.580 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.875 -8.832 8.794 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -1.492 -9.552 9.075 1.00 0.00 C ATOM 0 H VAL A 66 -1.141 -8.706 11.746 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.002 -9.006 11.307 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.211 -10.755 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.800 -9.069 7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.896 -9.008 9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.616 -7.785 8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.454 -9.782 8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.164 -8.525 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.835 -10.232 9.616 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.854 -11.433 12.084 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.780 -12.685 12.826 1.00 0.00 C ATOM 1120 C TYR A 67 -3.910 -13.885 11.891 1.00 0.00 C ATOM 1121 O TYR A 67 -3.116 -14.822 11.955 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.876 -12.730 13.890 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.271 -12.580 13.325 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.812 -11.322 13.086 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.044 -13.693 13.029 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -8.084 -11.180 12.568 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.319 -13.559 12.510 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.834 -12.301 12.281 1.00 0.00 C ATOM 1129 OH TYR A 67 -10.102 -12.165 11.765 1.00 0.00 O ATOM 0 H TYR A 67 -4.788 -11.198 11.748 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.806 -12.735 13.312 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.810 -13.675 14.428 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.699 -11.937 14.616 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.228 -10.441 13.309 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.644 -14.680 13.207 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.490 -10.195 12.388 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.908 -14.436 12.285 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.493 -13.052 11.619 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.917 -13.846 11.024 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.151 -14.929 10.076 1.00 0.00 C ATOM 1141 C ARG A 68 -4.010 -15.029 9.067 1.00 0.00 C ATOM 1142 O ARG A 68 -3.762 -16.092 8.499 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.477 -14.716 9.343 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.497 -13.470 8.471 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.659 -13.818 6.999 1.00 0.00 C ATOM 1146 NE ARG A 68 -5.375 -13.883 6.306 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.192 -14.497 5.139 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.207 -15.100 4.533 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -3.992 -14.507 4.576 1.00 0.00 N ATOM 0 H ARG A 68 -5.583 -13.077 10.959 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.198 -15.863 10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.683 -15.588 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.281 -14.649 10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.314 -12.820 8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.572 -12.911 8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.169 -14.777 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.293 -13.073 6.518 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.571 -13.431 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.133 -15.094 4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.061 -15.569 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.209 -14.044 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.852 -14.978 3.682 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.320 -13.913 8.850 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.205 -13.871 7.910 1.00 0.00 C ATOM 1165 C ALA A 69 -1.162 -14.935 8.241 1.00 0.00 C ATOM 1166 O ALA A 69 -1.371 -15.772 9.120 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.573 -12.487 7.916 1.00 0.00 C ATOM 0 H ALA A 69 -3.514 -13.025 9.313 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.591 -14.083 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.741 -12.464 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.317 -11.746 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.207 -12.258 8.917 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.038 -14.896 7.533 1.00 0.00 N ATOM 1174 CA ASP A 70 1.038 -15.858 7.752 1.00 0.00 C ATOM 1175 C ASP A 70 2.329 -15.148 8.147 1.00 0.00 C ATOM 1176 O ASP A 70 2.679 -14.116 7.576 1.00 0.00 O ATOM 1177 CB ASP A 70 1.265 -16.695 6.492 1.00 0.00 C ATOM 1178 CG ASP A 70 1.691 -18.115 6.810 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.619 -18.287 7.628 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.097 -19.055 6.240 1.00 0.00 O ATOM 0 H ASP A 70 0.152 -14.209 6.803 1.00 0.00 H new ATOM 0 HA ASP A 70 0.744 -16.517 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.348 -16.717 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.028 -16.219 5.876 1.00 0.00 H new ATOM 1185 N ALA A 71 3.032 -15.711 9.126 1.00 0.00 N ATOM 1186 CA ALA A 71 4.286 -15.134 9.601 1.00 0.00 C ATOM 1187 C ALA A 71 5.225 -14.809 8.443 1.00 0.00 C ATOM 1188 O ALA A 71 6.052 -13.902 8.536 1.00 0.00 O ATOM 1189 CB ALA A 71 4.964 -16.082 10.580 1.00 0.00 C ATOM 0 H ALA A 71 2.754 -16.567 9.606 1.00 0.00 H new ATOM 0 HA ALA A 71 4.052 -14.200 10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.898 -15.640 10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.307 -16.256 11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.173 -17.029 10.083 1.00 0.00 H new ATOM 1195 N LYS A 72 5.092 -15.555 7.352 1.00 0.00 N ATOM 1196 CA LYS A 72 5.928 -15.345 6.175 1.00 0.00 C ATOM 1197 C LYS A 72 5.436 -14.151 5.363 1.00 0.00 C ATOM 1198 O LYS A 72 6.222 -13.471 4.703 1.00 0.00 O ATOM 1199 CB LYS A 72 5.940 -16.602 5.302 1.00 0.00 C ATOM 1200 CG LYS A 72 4.561 -17.019 4.819 1.00 0.00 C ATOM 1201 CD LYS A 72 4.636 -18.240 3.917 1.00 0.00 C ATOM 1202 CE LYS A 72 4.316 -19.517 4.677 1.00 0.00 C ATOM 1203 NZ LYS A 72 5.254 -20.620 4.330 1.00 0.00 N ATOM 0 H LYS A 72 4.413 -16.311 7.258 1.00 0.00 H new ATOM 0 HA LYS A 72 6.943 -15.136 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.581 -16.428 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.382 -17.423 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.924 -17.236 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.098 -16.193 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.938 -18.124 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.634 -18.313 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.364 -19.323 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.295 -19.826 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.002 -21.473 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.190 -20.823 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.226 -20.336 4.566 1.00 0.00 H new ATOM 1217 N GLU A 73 4.132 -13.901 5.415 1.00 0.00 N ATOM 1218 CA GLU A 73 3.534 -12.788 4.684 1.00 0.00 C ATOM 1219 C GLU A 73 3.741 -11.469 5.422 1.00 0.00 C ATOM 1220 O GLU A 73 3.834 -10.409 4.804 1.00 0.00 O ATOM 1221 CB GLU A 73 2.039 -13.037 4.471 1.00 0.00 C ATOM 1222 CG GLU A 73 1.740 -14.290 3.664 1.00 0.00 C ATOM 1223 CD GLU A 73 2.428 -14.294 2.315 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.831 -13.787 1.342 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.565 -14.804 2.229 1.00 0.00 O ATOM 0 H GLU A 73 3.468 -14.454 5.956 1.00 0.00 H new ATOM 0 HA GLU A 73 4.028 -12.719 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.550 -13.115 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.604 -12.176 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.055 -15.166 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.663 -14.375 3.518 1.00 0.00 H new ATOM 1232 N ILE A 74 3.810 -11.540 6.749 1.00 0.00 N ATOM 1233 CA ILE A 74 4.001 -10.348 7.573 1.00 0.00 C ATOM 1234 C ILE A 74 5.158 -9.486 7.063 1.00 0.00 C ATOM 1235 O ILE A 74 4.989 -8.289 6.836 1.00 0.00 O ATOM 1236 CB ILE A 74 4.251 -10.715 9.052 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.165 -11.667 9.561 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.301 -9.458 9.910 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.755 -11.176 9.306 1.00 0.00 C ATOM 0 H ILE A 74 3.737 -12.410 7.277 1.00 0.00 H new ATOM 0 HA ILE A 74 3.078 -9.773 7.502 1.00 0.00 H new ATOM 0 HB ILE A 74 5.213 -11.222 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.294 -12.639 9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.299 -11.818 10.632 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.478 -9.734 10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.108 -8.813 9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.353 -8.926 9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.041 -11.902 9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.607 -10.219 9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.601 -11.053 8.234 1.00 0.00 H new ATOM 1251 N PRO A 75 6.356 -10.076 6.876 1.00 0.00 N ATOM 1252 CA PRO A 75 7.528 -9.335 6.392 1.00 0.00 C ATOM 1253 C PRO A 75 7.364 -8.845 4.955 1.00 0.00 C ATOM 1254 O PRO A 75 8.147 -8.024 4.480 1.00 0.00 O ATOM 1255 CB PRO A 75 8.663 -10.359 6.479 1.00 0.00 C ATOM 1256 CG PRO A 75 7.986 -11.682 6.423 1.00 0.00 C ATOM 1257 CD PRO A 75 6.667 -11.497 7.119 1.00 0.00 C ATOM 0 HA PRO A 75 7.702 -8.433 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.367 -10.240 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.230 -10.244 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.842 -12.004 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.584 -12.448 6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.899 -12.153 6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.739 -11.717 8.184 1.00 0.00 H new ATOM 1265 N ARG A 76 6.343 -9.350 4.267 1.00 0.00 N ATOM 1266 CA ARG A 76 6.088 -8.953 2.885 1.00 0.00 C ATOM 1267 C ARG A 76 4.955 -7.931 2.800 1.00 0.00 C ATOM 1268 O ARG A 76 4.539 -7.545 1.707 1.00 0.00 O ATOM 1269 CB ARG A 76 5.747 -10.178 2.034 1.00 0.00 C ATOM 1270 CG ARG A 76 6.583 -11.405 2.362 1.00 0.00 C ATOM 1271 CD ARG A 76 7.012 -12.146 1.105 1.00 0.00 C ATOM 1272 NE ARG A 76 6.231 -13.364 0.895 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.621 -14.369 0.113 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.779 -14.305 -0.532 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.851 -15.440 -0.022 1.00 0.00 N ATOM 0 H ARG A 76 5.682 -10.031 4.641 1.00 0.00 H new ATOM 0 HA ARG A 76 6.996 -8.489 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.693 -10.421 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.884 -9.927 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.466 -11.104 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.010 -12.076 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.901 -11.490 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.069 -12.401 1.177 1.00 0.00 H new ATOM 0 HE ARG A 76 5.335 -13.449 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.375 -13.483 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.073 -15.077 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.961 -15.494 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.149 -16.210 -0.621 1.00 0.00 H new ATOM 1289 N ILE A 77 4.456 -7.497 3.954 1.00 0.00 N ATOM 1290 CA ILE A 77 3.371 -6.523 3.999 1.00 0.00 C ATOM 1291 C ILE A 77 3.827 -5.224 4.661 1.00 0.00 C ATOM 1292 O ILE A 77 4.400 -5.239 5.750 1.00 0.00 O ATOM 1293 CB ILE A 77 2.153 -7.082 4.762 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.679 -8.385 4.114 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.024 -6.060 4.794 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.910 -9.288 5.054 1.00 0.00 C ATOM 0 H ILE A 77 4.786 -7.804 4.869 1.00 0.00 H new ATOM 0 HA ILE A 77 3.081 -6.317 2.969 1.00 0.00 H new ATOM 0 HB ILE A 77 2.452 -7.290 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.049 -8.146 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.545 -8.926 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.174 -6.474 5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.367 -5.154 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.722 -5.820 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.607 -10.191 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.544 -9.558 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.025 -8.766 5.417 1.00 0.00 H new ATOM 1308 N PHE A 78 3.564 -4.101 3.997 1.00 0.00 N ATOM 1309 CA PHE A 78 3.943 -2.795 4.523 1.00 0.00 C ATOM 1310 C PHE A 78 2.719 -1.899 4.680 1.00 0.00 C ATOM 1311 O PHE A 78 1.707 -2.090 4.007 1.00 0.00 O ATOM 1312 CB PHE A 78 4.974 -2.127 3.611 1.00 0.00 C ATOM 1313 CG PHE A 78 4.600 -2.138 2.156 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.690 -3.304 1.412 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.162 -0.980 1.531 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.350 -3.314 0.072 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.822 -0.987 0.193 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.915 -2.154 -0.538 1.00 0.00 C ATOM 0 H PHE A 78 3.090 -4.071 3.094 1.00 0.00 H new ATOM 0 HA PHE A 78 4.390 -2.943 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.113 -1.095 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.933 -2.631 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.029 -4.214 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.086 -0.063 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.425 -4.229 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.483 -0.078 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.648 -2.160 -1.585 1.00 0.00 H new ATOM 1328 N GLN A 79 2.814 -0.923 5.580 1.00 0.00 N ATOM 1329 CA GLN A 79 1.711 -0.004 5.831 1.00 0.00 C ATOM 1330 C GLN A 79 2.106 1.436 5.517 1.00 0.00 C ATOM 1331 O GLN A 79 3.227 1.860 5.802 1.00 0.00 O ATOM 1332 CB GLN A 79 1.255 -0.113 7.288 1.00 0.00 C ATOM 1333 CG GLN A 79 0.089 0.799 7.632 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.158 0.891 9.125 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.408 1.745 9.808 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.007 0.010 9.640 1.00 0.00 N ATOM 0 H GLN A 79 3.644 -0.750 6.147 1.00 0.00 H new ATOM 0 HA GLN A 79 0.888 -0.282 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.971 -1.145 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.095 0.123 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.284 1.796 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.812 0.432 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.454 -0.681 9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.213 0.024 10.639 1.00 0.00 H new ATOM 1345 N ILE A 80 1.174 2.183 4.933 1.00 0.00 N ATOM 1346 CA ILE A 80 1.414 3.578 4.583 1.00 0.00 C ATOM 1347 C ILE A 80 0.344 4.484 5.186 1.00 0.00 C ATOM 1348 O ILE A 80 -0.830 4.393 4.831 1.00 0.00 O ATOM 1349 CB ILE A 80 1.438 3.776 3.054 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.427 2.804 2.407 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.799 5.214 2.708 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.892 2.141 1.157 1.00 0.00 C ATOM 0 H ILE A 80 0.243 1.844 4.692 1.00 0.00 H new ATOM 0 HA ILE A 80 2.388 3.847 4.991 1.00 0.00 H new ATOM 0 HB ILE A 80 0.442 3.568 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.343 3.341 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.694 2.034 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.811 5.336 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.060 5.889 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.784 5.449 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.646 1.466 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.992 1.576 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.652 2.903 0.415 1.00 0.00 H new ATOM 1364 N LEU A 81 0.759 5.357 6.099 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.166 6.279 6.751 1.00 0.00 C ATOM 1366 C LEU A 81 -0.317 7.564 5.942 1.00 0.00 C ATOM 1367 O LEU A 81 0.656 8.077 5.387 1.00 0.00 O ATOM 1368 CB LEU A 81 0.320 6.608 8.165 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.610 7.514 8.975 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.753 6.709 9.570 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.165 8.232 10.070 1.00 0.00 C ATOM 0 H LEU A 81 1.728 5.446 6.404 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.140 5.793 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.460 5.675 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.297 7.086 8.095 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.030 8.263 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.404 7.370 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.325 6.242 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.351 5.937 10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.512 8.872 10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.614 7.498 10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.949 8.841 9.621 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.541 8.077 5.880 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.819 9.303 5.141 1.00 0.00 C ATOM 1385 C TYR A 82 -3.003 10.048 5.746 1.00 0.00 C ATOM 1386 O TYR A 82 -3.948 9.435 6.242 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.102 8.986 3.672 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.015 7.801 3.472 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.576 6.512 3.741 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.316 7.968 3.015 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.407 5.422 3.560 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.153 6.884 2.833 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.693 5.613 3.105 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.525 4.531 2.924 1.00 0.00 O ATOM 0 H TYR A 82 -2.356 7.663 6.332 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.938 9.942 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.549 9.861 3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.158 8.796 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.568 6.358 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.679 8.962 2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.050 4.426 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.163 7.031 2.479 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.362 3.871 3.630 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.945 11.374 5.698 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.012 12.207 6.240 1.00 0.00 C ATOM 1406 C ALA A 83 -5.265 12.126 5.375 1.00 0.00 C ATOM 1407 O ALA A 83 -5.220 12.386 4.174 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.540 13.650 6.359 1.00 0.00 C ATOM 0 H ALA A 83 -2.170 11.896 5.289 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.266 11.834 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.344 14.264 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.677 13.697 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.260 14.024 5.374 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.384 11.762 5.995 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.650 11.648 5.280 1.00 0.00 C ATOM 1416 C ASN A 84 -8.559 12.833 5.594 1.00 0.00 C ATOM 1417 O ASN A 84 -9.184 13.406 4.701 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.347 10.330 5.639 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.055 10.381 6.980 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.224 10.759 7.063 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.350 10.001 8.037 1.00 0.00 N ATOM 0 H ASN A 84 -6.439 11.541 6.989 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.441 11.654 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.070 10.084 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.610 9.527 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.774 10.015 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.384 9.695 7.922 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.627 13.196 6.871 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.457 14.312 7.310 1.00 0.00 C ATOM 1430 C GLU A 85 -8.609 15.393 7.971 1.00 0.00 C ATOM 1431 O GLU A 85 -8.826 16.586 7.757 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.531 13.823 8.284 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.650 13.042 7.614 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.945 13.823 7.541 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.524 14.114 8.609 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.384 14.142 6.417 1.00 0.00 O ATOM 0 H GLU A 85 -8.116 12.732 7.622 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.940 14.741 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.063 13.194 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.958 14.682 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.341 12.764 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.820 12.115 8.162 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.641 14.966 8.775 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.773 15.905 9.457 1.00 0.00 C ATOM 1445 C GLY A 86 -5.398 15.329 9.730 1.00 0.00 C ATOM 1446 O GLY A 86 -4.523 15.356 8.864 1.00 0.00 O ATOM 0 H GLY A 86 -7.443 13.984 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.673 16.807 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.233 16.202 10.400 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.206 14.806 10.937 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.926 14.220 11.320 1.00 0.00 C ATOM 1452 C ILE A 87 -4.127 12.916 12.082 1.00 0.00 C ATOM 1453 O ILE A 87 -3.771 11.841 11.600 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.093 15.184 12.189 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.326 16.636 11.762 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.616 14.834 12.097 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.475 17.302 12.488 1.00 0.00 C ATOM 0 H ILE A 87 -5.919 14.776 11.666 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.384 14.023 10.395 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.413 15.077 13.225 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.415 17.209 11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.519 16.664 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.040 15.522 12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.461 13.814 12.449 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.287 14.914 11.061 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.582 18.328 12.136 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.396 16.753 12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.275 17.305 13.560 1.00 0.00 H new ATOM 1469 N SER A 88 -4.699 13.017 13.277 1.00 0.00 N ATOM 1470 CA SER A 88 -4.949 11.845 14.109 1.00 0.00 C ATOM 1471 C SER A 88 -5.867 10.858 13.397 1.00 0.00 C ATOM 1472 O SER A 88 -5.760 9.646 13.588 1.00 0.00 O ATOM 1473 CB SER A 88 -5.565 12.263 15.444 1.00 0.00 C ATOM 1474 OG SER A 88 -5.917 11.130 16.221 1.00 0.00 O ATOM 0 H SER A 88 -4.999 13.899 13.692 1.00 0.00 H new ATOM 0 HA SER A 88 -3.994 11.353 14.297 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.858 12.881 15.997 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.450 12.874 15.264 1.00 0.00 H new ATOM 0 HG SER A 88 -6.307 11.424 17.070 1.00 0.00 H new ATOM 1480 N SER A 89 -6.770 11.383 12.576 1.00 0.00 N ATOM 1481 CA SER A 89 -7.709 10.547 11.834 1.00 0.00 C ATOM 1482 C SER A 89 -7.019 9.848 10.665 1.00 0.00 C ATOM 1483 O SER A 89 -7.507 8.836 10.164 1.00 0.00 O ATOM 1484 CB SER A 89 -8.876 11.392 11.320 1.00 0.00 C ATOM 1485 OG SER A 89 -9.553 12.030 12.388 1.00 0.00 O ATOM 0 H SER A 89 -6.872 12.384 12.407 1.00 0.00 H new ATOM 0 HA SER A 89 -8.089 9.784 12.513 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.506 12.142 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.573 10.759 10.770 1.00 0.00 H new ATOM 0 HG SER A 89 -10.293 12.565 12.033 1.00 0.00 H new ATOM 1491 N ALA A 90 -5.883 10.399 10.234 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.113 9.841 9.121 1.00 0.00 C ATOM 1493 C ALA A 90 -5.128 8.314 9.125 1.00 0.00 C ATOM 1494 O ALA A 90 -4.671 7.681 10.078 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.683 10.353 9.170 1.00 0.00 C ATOM 0 H ALA A 90 -5.473 11.239 10.643 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.585 10.169 8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.117 9.933 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.683 11.440 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.221 10.053 10.111 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.658 7.733 8.055 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.735 6.281 7.932 1.00 0.00 C ATOM 1503 C LYS A 91 -4.465 5.719 7.304 1.00 0.00 C ATOM 1504 O LYS A 91 -3.544 6.463 6.968 1.00 0.00 O ATOM 1505 CB LYS A 91 -6.950 5.883 7.093 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.263 6.438 7.622 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.587 5.886 9.002 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.710 4.863 8.943 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.190 3.468 8.914 1.00 0.00 N ATOM 0 H LYS A 91 -6.041 8.244 7.260 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.840 5.863 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.804 6.230 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.014 4.796 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.207 7.526 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.069 6.189 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.696 5.426 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.872 6.703 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.362 4.989 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.318 5.042 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.987 2.801 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.588 3.339 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.631 3.288 9.772 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.422 4.400 7.150 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.264 3.734 6.563 1.00 0.00 C ATOM 1525 C ASN A 92 -3.691 2.747 5.482 1.00 0.00 C ATOM 1526 O ASN A 92 -4.863 2.387 5.383 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.455 3.010 7.643 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.324 2.451 8.756 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.117 2.753 9.931 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.303 1.631 8.391 1.00 0.00 N ATOM 0 H ASN A 92 -5.176 3.770 7.424 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.636 4.498 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.892 2.197 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.727 3.701 8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.918 1.225 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.440 1.407 7.405 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.728 2.312 4.674 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.002 1.365 3.599 1.00 0.00 C ATOM 1539 C LEU A 93 -2.077 0.156 3.693 1.00 0.00 C ATOM 1540 O LEU A 93 -0.855 0.288 3.619 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.840 2.043 2.236 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.029 1.881 1.288 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.040 2.996 0.252 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.988 0.522 0.609 1.00 0.00 C ATOM 0 H LEU A 93 -1.752 2.600 4.744 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.031 1.023 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.664 3.107 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.950 1.641 1.751 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.947 1.945 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.893 2.865 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.117 3.960 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.118 2.963 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.842 0.425 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.065 0.429 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.028 -0.263 1.364 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.668 -1.023 3.855 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.896 -2.255 3.956 1.00 0.00 C ATOM 1558 C LEU A 94 -1.721 -2.892 2.583 1.00 0.00 C ATOM 1559 O LEU A 94 -2.699 -3.189 1.897 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.586 -3.233 4.908 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.452 -2.897 6.395 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.048 -3.206 6.887 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.797 -1.436 6.643 1.00 0.00 C ATOM 0 H LEU A 94 -3.678 -1.151 3.919 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.910 -2.013 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.645 -3.275 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.178 -4.229 4.739 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.154 -3.516 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.971 -2.961 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.837 -4.266 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.327 -2.613 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.697 -1.214 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.119 -0.800 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.823 -1.246 6.328 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.471 -3.094 2.185 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.174 -3.688 0.890 1.00 0.00 C ATOM 1577 C LEU A 95 0.801 -4.851 1.024 1.00 0.00 C ATOM 1578 O LEU A 95 1.891 -4.706 1.579 1.00 0.00 O ATOM 1579 CB LEU A 95 0.400 -2.627 -0.048 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.495 -1.404 -0.257 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.138 -0.445 -1.252 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.880 -1.828 -0.724 1.00 0.00 C ATOM 0 H LEU A 95 0.351 -2.855 2.740 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.103 -4.076 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.360 -2.294 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.596 -3.086 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.601 -0.887 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.512 0.419 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.106 -0.115 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.275 -0.951 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.502 -0.944 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.796 -2.369 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.335 -2.474 0.027 1.00 0.00 H new ATOM 1594 N LEU A 96 0.397 -6.006 0.509 1.00 0.00 N ATOM 1595 CA LEU A 96 1.222 -7.205 0.560 1.00 0.00 C ATOM 1596 C LEU A 96 2.064 -7.329 -0.706 1.00 0.00 C ATOM 1597 O LEU A 96 1.613 -6.990 -1.800 1.00 0.00 O ATOM 1598 CB LEU A 96 0.331 -8.442 0.729 1.00 0.00 C ATOM 1599 CG LEU A 96 0.996 -9.794 0.443 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.400 -10.475 1.738 1.00 0.00 C ATOM 1601 CD2 LEU A 96 0.058 -10.687 -0.357 1.00 0.00 C ATOM 0 H LEU A 96 -0.504 -6.137 0.048 1.00 0.00 H new ATOM 0 HA LEU A 96 1.896 -7.132 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.048 -8.455 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.531 -8.337 0.070 1.00 0.00 H new ATOM 0 HG LEU A 96 1.895 -9.618 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.870 -11.433 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.105 -9.842 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.516 -10.640 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.544 -11.643 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.857 -10.855 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.185 -10.204 -1.303 1.00 0.00 H new ATOM 1613 N ALA A 97 3.287 -7.818 -0.548 1.00 0.00 N ATOM 1614 CA ALA A 97 4.190 -7.991 -1.676 1.00 0.00 C ATOM 1615 C ALA A 97 4.508 -9.466 -1.894 1.00 0.00 C ATOM 1616 O ALA A 97 4.891 -10.173 -0.962 1.00 0.00 O ATOM 1617 CB ALA A 97 5.468 -7.199 -1.454 1.00 0.00 C ATOM 0 H ALA A 97 3.676 -8.102 0.351 1.00 0.00 H new ATOM 0 HA ALA A 97 3.696 -7.614 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.134 -7.337 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.227 -6.141 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.960 -7.550 -0.547 1.00 0.00 H new ATOM 1623 N ASN A 98 4.349 -9.926 -3.131 1.00 0.00 N ATOM 1624 CA ASN A 98 4.621 -11.320 -3.471 1.00 0.00 C ATOM 1625 C ASN A 98 5.981 -11.756 -2.931 1.00 0.00 C ATOM 1626 O ASN A 98 6.195 -12.931 -2.632 1.00 0.00 O ATOM 1627 CB ASN A 98 4.574 -11.515 -4.988 1.00 0.00 C ATOM 1628 CG ASN A 98 5.387 -10.470 -5.729 1.00 0.00 C ATOM 1629 OD1 ASN A 98 6.591 -10.631 -5.931 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.730 -9.391 -6.139 1.00 0.00 N ATOM 0 H ASN A 98 4.033 -9.355 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 98 3.852 -11.938 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.950 -12.508 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.538 -11.473 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.224 -8.654 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.732 -9.299 -5.950 1.00 0.00 H new ATOM 1637 N SER A 99 6.893 -10.798 -2.804 1.00 0.00 N ATOM 1638 CA SER A 99 8.229 -11.073 -2.293 1.00 0.00 C ATOM 1639 C SER A 99 8.659 -9.986 -1.314 1.00 0.00 C ATOM 1640 O SER A 99 8.351 -8.810 -1.505 1.00 0.00 O ATOM 1641 CB SER A 99 9.231 -11.168 -3.444 1.00 0.00 C ATOM 1642 OG SER A 99 8.877 -12.203 -4.345 1.00 0.00 O ATOM 0 H SER A 99 6.730 -9.821 -3.049 1.00 0.00 H new ATOM 0 HA SER A 99 8.206 -12.028 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.270 -10.217 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.229 -11.353 -3.047 1.00 0.00 H new ATOM 0 HG SER A 99 8.148 -11.897 -4.924 1.00 0.00 H new ATOM 1648 N THR A 100 9.374 -10.385 -0.267 1.00 0.00 N ATOM 1649 CA THR A 100 9.846 -9.441 0.741 1.00 0.00 C ATOM 1650 C THR A 100 10.550 -8.257 0.089 1.00 0.00 C ATOM 1651 O THR A 100 10.343 -7.105 0.473 1.00 0.00 O ATOM 1652 CB THR A 100 10.799 -10.137 1.713 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.472 -11.509 1.840 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.788 -9.531 3.101 1.00 0.00 C ATOM 0 H THR A 100 9.639 -11.355 -0.094 1.00 0.00 H new ATOM 0 HA THR A 100 8.980 -9.071 1.290 1.00 0.00 H new ATOM 0 HB THR A 100 11.793 -10.006 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.094 -11.937 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.486 -10.072 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.086 -8.484 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.784 -9.600 3.520 1.00 0.00 H new ATOM 1662 N GLU A 101 11.384 -8.553 -0.902 1.00 0.00 N ATOM 1663 CA GLU A 101 12.127 -7.524 -1.617 1.00 0.00 C ATOM 1664 C GLU A 101 11.194 -6.444 -2.159 1.00 0.00 C ATOM 1665 O GLU A 101 11.508 -5.254 -2.102 1.00 0.00 O ATOM 1666 CB GLU A 101 12.919 -8.152 -2.764 1.00 0.00 C ATOM 1667 CG GLU A 101 13.742 -9.357 -2.344 1.00 0.00 C ATOM 1668 CD GLU A 101 14.802 -9.722 -3.365 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.755 -8.934 -3.541 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.679 -10.797 -3.990 1.00 0.00 O ATOM 0 H GLU A 101 11.562 -9.503 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 101 12.816 -7.056 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.227 -8.451 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.582 -7.400 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.220 -9.150 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.080 -10.210 -2.192 1.00 0.00 H new ATOM 1677 N GLU A 102 10.046 -6.862 -2.683 1.00 0.00 N ATOM 1678 CA GLU A 102 9.069 -5.928 -3.232 1.00 0.00 C ATOM 1679 C GLU A 102 8.619 -4.926 -2.174 1.00 0.00 C ATOM 1680 O GLU A 102 8.435 -3.744 -2.462 1.00 0.00 O ATOM 1681 CB GLU A 102 7.862 -6.687 -3.789 1.00 0.00 C ATOM 1682 CG GLU A 102 7.622 -6.445 -5.271 1.00 0.00 C ATOM 1683 CD GLU A 102 8.394 -7.410 -6.150 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.101 -8.624 -6.100 1.00 0.00 O ATOM 1685 OE2 GLU A 102 9.290 -6.953 -6.890 1.00 0.00 O ATOM 0 H GLU A 102 9.769 -7.842 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 102 9.545 -5.377 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.006 -7.755 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.971 -6.395 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.557 -6.538 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.908 -5.423 -5.520 1.00 0.00 H new ATOM 1692 N GLN A 103 8.446 -5.405 -0.946 1.00 0.00 N ATOM 1693 CA GLN A 103 8.022 -4.547 0.154 1.00 0.00 C ATOM 1694 C GLN A 103 9.101 -3.519 0.482 1.00 0.00 C ATOM 1695 O GLN A 103 8.800 -2.383 0.847 1.00 0.00 O ATOM 1696 CB GLN A 103 7.697 -5.387 1.393 1.00 0.00 C ATOM 1697 CG GLN A 103 7.391 -4.562 2.634 1.00 0.00 C ATOM 1698 CD GLN A 103 8.515 -4.599 3.651 1.00 0.00 C ATOM 1699 OE1 GLN A 103 8.763 -5.625 4.282 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.201 -3.473 3.815 1.00 0.00 N ATOM 0 H GLN A 103 8.593 -6.381 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 103 7.121 -4.016 -0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.841 -6.025 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.540 -6.045 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.204 -3.529 2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.476 -4.933 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.960 -2.645 3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.968 -3.436 4.486 1.00 0.00 H new ATOM 1709 N GLN A 104 10.360 -3.925 0.348 1.00 0.00 N ATOM 1710 CA GLN A 104 11.482 -3.035 0.628 1.00 0.00 C ATOM 1711 C GLN A 104 11.591 -1.958 -0.446 1.00 0.00 C ATOM 1712 O GLN A 104 11.944 -0.813 -0.161 1.00 0.00 O ATOM 1713 CB GLN A 104 12.801 -3.815 0.709 1.00 0.00 C ATOM 1714 CG GLN A 104 12.654 -5.254 1.179 1.00 0.00 C ATOM 1715 CD GLN A 104 11.812 -5.382 2.431 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.518 -4.392 3.101 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.419 -6.610 2.755 1.00 0.00 N ATOM 0 H GLN A 104 10.629 -4.862 0.048 1.00 0.00 H new ATOM 0 HA GLN A 104 11.296 -2.564 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.271 -3.813 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.477 -3.292 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.204 -5.847 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.643 -5.672 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.686 -7.402 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.850 -6.760 3.588 1.00 0.00 H new ATOM 1726 N LYS A 105 11.286 -2.337 -1.683 1.00 0.00 N ATOM 1727 CA LYS A 105 11.348 -1.409 -2.805 1.00 0.00 C ATOM 1728 C LYS A 105 10.146 -0.470 -2.806 1.00 0.00 C ATOM 1729 O LYS A 105 10.299 0.746 -2.891 1.00 0.00 O ATOM 1730 CB LYS A 105 11.411 -2.180 -4.128 1.00 0.00 C ATOM 1731 CG LYS A 105 11.286 -1.296 -5.360 1.00 0.00 C ATOM 1732 CD LYS A 105 11.311 -2.114 -6.639 1.00 0.00 C ATOM 1733 CE LYS A 105 9.907 -2.406 -7.142 1.00 0.00 C ATOM 1734 NZ LYS A 105 9.788 -3.788 -7.686 1.00 0.00 N ATOM 0 H LYS A 105 10.993 -3.281 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 105 12.252 -0.809 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.355 -2.724 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.614 -2.923 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.357 -0.728 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.101 -0.573 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.868 -1.576 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.837 -3.052 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.195 -2.274 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.642 -1.687 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.816 -3.948 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.449 -3.907 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.016 -4.476 -6.940 1.00 0.00 H new ATOM 1748 N TRP A 106 8.950 -1.043 -2.719 1.00 0.00 N ATOM 1749 CA TRP A 106 7.724 -0.254 -2.718 1.00 0.00 C ATOM 1750 C TRP A 106 7.745 0.800 -1.615 1.00 0.00 C ATOM 1751 O TRP A 106 7.495 1.980 -1.861 1.00 0.00 O ATOM 1752 CB TRP A 106 6.509 -1.157 -2.542 1.00 0.00 C ATOM 1753 CG TRP A 106 5.806 -1.438 -3.831 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.082 -2.445 -4.700 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.727 -0.692 -4.405 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.222 -2.392 -5.773 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.385 -1.321 -5.616 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.013 0.440 -4.009 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.361 -0.856 -6.434 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.996 0.902 -4.825 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.679 0.254 -6.024 1.00 0.00 C ATOM 0 H TRP A 106 8.804 -2.050 -2.648 1.00 0.00 H new ATOM 0 HA TRP A 106 7.658 0.255 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.824 -2.099 -2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.812 -0.689 -1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.862 -3.180 -4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.210 -3.044 -6.557 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.250 0.945 -3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.114 -1.354 -7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.437 1.778 -4.532 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.878 0.640 -6.638 1.00 0.00 H new ATOM 1772 N VAL A 107 8.040 0.356 -0.397 1.00 0.00 N ATOM 1773 CA VAL A 107 8.089 1.245 0.757 1.00 0.00 C ATOM 1774 C VAL A 107 9.212 2.271 0.630 1.00 0.00 C ATOM 1775 O VAL A 107 8.988 3.470 0.789 1.00 0.00 O ATOM 1776 CB VAL A 107 8.280 0.446 2.063 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.286 1.373 3.271 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.196 -0.615 2.202 1.00 0.00 C ATOM 0 H VAL A 107 8.250 -0.619 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 107 7.135 1.771 0.790 1.00 0.00 H new ATOM 0 HB VAL A 107 9.247 -0.054 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.422 0.786 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.102 2.089 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.338 1.908 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.346 -1.169 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.217 -0.135 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.248 -1.301 1.357 1.00 0.00 H new ATOM 1788 N SER A 108 10.420 1.792 0.358 1.00 0.00 N ATOM 1789 CA SER A 108 11.580 2.666 0.228 1.00 0.00 C ATOM 1790 C SER A 108 11.410 3.672 -0.911 1.00 0.00 C ATOM 1791 O SER A 108 11.845 4.818 -0.806 1.00 0.00 O ATOM 1792 CB SER A 108 12.844 1.837 0.001 1.00 0.00 C ATOM 1793 OG SER A 108 14.004 2.651 0.043 1.00 0.00 O ATOM 0 H SER A 108 10.622 0.801 0.223 1.00 0.00 H new ATOM 0 HA SER A 108 11.672 3.226 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.914 1.060 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.784 1.334 -0.964 1.00 0.00 H new ATOM 0 HG SER A 108 14.798 2.096 -0.103 1.00 0.00 H new ATOM 1799 N ARG A 109 10.785 3.238 -2.000 1.00 0.00 N ATOM 1800 CA ARG A 109 10.574 4.111 -3.150 1.00 0.00 C ATOM 1801 C ARG A 109 9.461 5.121 -2.884 1.00 0.00 C ATOM 1802 O ARG A 109 9.655 6.329 -3.031 1.00 0.00 O ATOM 1803 CB ARG A 109 10.242 3.285 -4.393 1.00 0.00 C ATOM 1804 CG ARG A 109 11.468 2.738 -5.107 1.00 0.00 C ATOM 1805 CD ARG A 109 12.145 3.807 -5.950 1.00 0.00 C ATOM 1806 NE ARG A 109 13.154 3.241 -6.844 1.00 0.00 N ATOM 1807 CZ ARG A 109 12.868 2.629 -7.991 1.00 0.00 C ATOM 1808 NH1 ARG A 109 11.607 2.502 -8.387 1.00 0.00 N ATOM 1809 NH2 ARG A 109 13.845 2.144 -8.744 1.00 0.00 N ATOM 0 H ARG A 109 10.417 2.293 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 109 11.499 4.661 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.599 2.454 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.673 3.903 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.175 2.350 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.177 1.902 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.394 4.334 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.612 4.543 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 109 14.134 3.320 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.852 2.874 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.394 2.032 -9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 109 14.815 2.240 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.627 1.675 -9.623 1.00 0.00 H new ATOM 1823 N LEU A 110 8.293 4.619 -2.494 1.00 0.00 N ATOM 1824 CA LEU A 110 7.149 5.480 -2.216 1.00 0.00 C ATOM 1825 C LEU A 110 7.460 6.461 -1.089 1.00 0.00 C ATOM 1826 O LEU A 110 7.042 7.617 -1.129 1.00 0.00 O ATOM 1827 CB LEU A 110 5.919 4.636 -1.866 1.00 0.00 C ATOM 1828 CG LEU A 110 5.904 4.049 -0.453 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.339 5.057 0.538 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.097 2.758 -0.424 1.00 0.00 C ATOM 0 H LEU A 110 8.114 3.623 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 110 6.934 6.057 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.029 5.252 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.846 3.817 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 110 6.929 3.821 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.336 4.622 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.956 5.955 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.320 5.316 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.096 2.352 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.072 2.962 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.545 2.034 -1.105 1.00 0.00 H new ATOM 1842 N VAL A 111 8.201 5.997 -0.086 1.00 0.00 N ATOM 1843 CA VAL A 111 8.565 6.844 1.044 1.00 0.00 C ATOM 1844 C VAL A 111 9.602 7.883 0.632 1.00 0.00 C ATOM 1845 O VAL A 111 9.514 9.050 1.016 1.00 0.00 O ATOM 1846 CB VAL A 111 9.107 6.014 2.227 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.487 5.454 1.917 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.134 6.851 3.498 1.00 0.00 C ATOM 0 H VAL A 111 8.559 5.043 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 111 7.657 7.352 1.368 1.00 0.00 H new ATOM 0 HB VAL A 111 8.435 5.171 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.844 4.874 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.430 4.812 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.177 6.275 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.519 6.250 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.778 7.718 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.124 7.186 3.734 1.00 0.00 H new ATOM 1858 N LYS A 112 10.582 7.452 -0.157 1.00 0.00 N ATOM 1859 CA LYS A 112 11.630 8.347 -0.628 1.00 0.00 C ATOM 1860 C LYS A 112 11.032 9.491 -1.436 1.00 0.00 C ATOM 1861 O LYS A 112 11.567 10.600 -1.458 1.00 0.00 O ATOM 1862 CB LYS A 112 12.645 7.580 -1.479 1.00 0.00 C ATOM 1863 CG LYS A 112 13.842 7.074 -0.691 1.00 0.00 C ATOM 1864 CD LYS A 112 15.067 6.920 -1.577 1.00 0.00 C ATOM 1865 CE LYS A 112 15.069 5.582 -2.298 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.472 4.467 -1.397 1.00 0.00 N ATOM 0 H LYS A 112 10.671 6.489 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 112 12.141 8.762 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.146 6.733 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.997 8.228 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.064 7.767 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.599 6.115 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.092 7.728 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.969 7.009 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.075 5.384 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.751 5.628 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.047 3.782 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.029 4.845 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.622 3.994 -1.028 1.00 0.00 H new ATOM 1880 N LYS A 113 9.912 9.213 -2.096 1.00 0.00 N ATOM 1881 CA LYS A 113 9.232 10.219 -2.904 1.00 0.00 C ATOM 1882 C LYS A 113 8.547 11.258 -2.018 1.00 0.00 C ATOM 1883 O LYS A 113 8.288 12.382 -2.449 1.00 0.00 O ATOM 1884 CB LYS A 113 8.203 9.557 -3.823 1.00 0.00 C ATOM 1885 CG LYS A 113 8.720 9.298 -5.229 1.00 0.00 C ATOM 1886 CD LYS A 113 7.729 8.485 -6.047 1.00 0.00 C ATOM 1887 CE LYS A 113 7.569 7.077 -5.493 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.821 6.040 -6.532 1.00 0.00 N ATOM 0 H LYS A 113 9.457 8.300 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 113 9.981 10.725 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.888 8.612 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.319 10.192 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 113 8.912 10.248 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.671 8.768 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 113 6.762 8.987 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.066 8.433 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.259 6.933 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.561 6.955 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.383 5.267 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.914 5.664 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.342 6.464 -7.326 1.00 0.00 H new ATOM 1902 N ILE A 114 8.256 10.876 -0.777 1.00 0.00 N ATOM 1903 CA ILE A 114 7.603 11.773 0.168 1.00 0.00 C ATOM 1904 C ILE A 114 8.499 12.965 0.503 1.00 0.00 C ATOM 1905 O ILE A 114 9.697 12.802 0.733 1.00 0.00 O ATOM 1906 CB ILE A 114 7.231 11.040 1.472 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.444 9.765 1.161 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.428 11.954 2.387 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.045 8.986 2.395 1.00 0.00 C ATOM 0 H ILE A 114 8.463 9.950 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 114 6.692 12.131 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 114 8.150 10.761 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.546 10.029 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.045 9.125 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.174 11.420 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.021 12.835 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.513 12.262 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.491 8.095 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.939 8.691 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.417 9.609 3.032 1.00 0.00 H new ATOM 1921 N PRO A 115 7.928 14.184 0.539 1.00 0.00 N ATOM 1922 CA PRO A 115 8.687 15.399 0.850 1.00 0.00 C ATOM 1923 C PRO A 115 9.065 15.482 2.326 1.00 0.00 C ATOM 1924 O PRO A 115 10.181 15.870 2.671 1.00 0.00 O ATOM 1925 CB PRO A 115 7.720 16.523 0.481 1.00 0.00 C ATOM 1926 CG PRO A 115 6.367 15.925 0.649 1.00 0.00 C ATOM 1927 CD PRO A 115 6.504 14.473 0.280 1.00 0.00 C ATOM 0 HA PRO A 115 9.634 15.440 0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.854 17.389 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.879 16.863 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.017 16.035 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.639 16.423 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.850 13.842 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.242 14.298 -0.763 1.00 0.00 H new